PubChemLite - Maduransaurebenzhydrazon (C33H24N2O10)

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=C6)C(=O)O)O)C(=C3C2=O)O)OC)O

InChI

InChI=1S/C33H24N2O10/c1-13-19(36)11-18-23(26(13)37)30(41)25-24(27(18)38)29(40)22-17(31(25)45-2)9-8-15-10-16(21(33(43)44)28(39)20(15)22)12-34-35-32(42)14-6-4-3-5-7-14/h3-7,10-12,36-37,39-40H,8-9H2,1-2H3,(H,35,42)(H,43,44)/b34-12-

InChIKey

WXGKFBHUSQAXNU-AZQCRQQHSA-N

Compound name

3-[(Z)-(benzoylhydrazinylidene)methyl]-1,9,11,14-tetrahydroxy-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]+	609.15035	237.2
[M+Na]+	631.13229	241.9
[M-H]-	607.13579	242.0
[M+NH4]+	626.17689	239.2
[M+K]+	647.10623	241.0
[M+H-H2O]+	591.14033	226.1
[M+HCOO]-	653.14127	244.8
[M+CH3COO]-	667.15692	271.6
[M+Na-2H]-	629.11774	262.9
[M]+	608.14252	240.5
[M]-	608.14362	240.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.15035

237.2

[M+Na]+

631.13229

241.9

[M-H]-

607.13579

242.0

[M+NH4]+

626.17689

239.2

[M+K]+

647.10623

241.0

[M+H-H2O]+

591.14033

226.1

[M+HCOO]-

653.14127

244.8

[M+CH3COO]-

667.15692

271.6

[M+Na-2H]-

629.11774

262.9

[M]+

608.14252

240.5

[M]-

608.14362

240.5

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

Maduransaurebenzhydrazon

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe