PubChemLite - Maduransaure-2-hydroxy-benzhydrazon (C33H24N2O11)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C2C(=C1O)C(=O)C3=C(C4=C(C5=C(C(=C(C=C5CC4)/C=N\NC(=O)C6=CC=CC=C6O)C(=O)O)O)C(=C3C2=O)O)OC)O

InChI

InChI=1S/C33H24N2O11/c1-12-19(37)10-17-23(26(12)38)30(42)25-24(27(17)39)29(41)22-16(31(25)46-2)8-7-13-9-14(21(33(44)45)28(40)20(13)22)11-34-35-32(43)15-5-3-4-6-18(15)36/h3-6,9-11,36-38,40-41H,7-8H2,1-2H3,(H,35,43)(H,44,45)/b34-11-

InChIKey

VXPFDACYGOZPBS-OWJVGSFTSA-N

Compound name

1,9,11,14-tetrahydroxy-3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-7-methoxy-10-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	625.14528	241.4
[M+Na]+	647.12722	248.6
[M-H]-	623.13072	240.7
[M+NH4]+	642.17182	244.9
[M+K]+	663.10116	240.2
[M+H-H2O]+	607.13526	227.7
[M+HCOO]-	669.13620	246.6
[M+CH3COO]-	683.15185	250.4
[M+Na-2H]-	645.11267	264.7
[M]+	624.13745	265.8
[M]-	624.13855	265.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

625.14528

241.4

[M+Na]+

647.12722

248.6

[M-H]-

623.13072

240.7

[M+NH4]+

642.17182

244.9

[M+K]+

663.10116

240.2

[M+H-H2O]+

607.13526

227.7

[M+HCOO]-

669.13620

246.6

[M+CH3COO]-

683.15185

250.4

[M+Na-2H]-

645.11267

264.7

[M]+

624.13745

265.8

[M]-

624.13855

265.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Maduransaure-2-hydroxy-benzhydrazon

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe