PubChemLite - Streptonigrin hydrazide (C25H24N6O7)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=C(N=C1C(=O)N=N)C2=NC3=C(C=C2)C(=C(C(=C3O)N)OC)O)N)C4=C(C(=C(C=C4)OC)OC)O

InChI

InChI=1S/C25H24N6O7/c1-9-14(10-6-8-13(36-2)23(37-3)20(10)32)15(26)19(30-17(9)25(35)31-28)12-7-5-11-18(29-12)22(34)16(27)24(38-4)21(11)33/h5-8,28,32-34H,26-27H2,1-4H3

InChIKey

LHFFJRKRFYKDRF-UHFFFAOYSA-N

Compound name

5-amino-6-(7-amino-5,8-dihydroxy-6-methoxyquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-N-imino-3-methylpyridine-2-carboxamide

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]+	521.17793	229.3
[M+Na]+	543.15987	237.5
[M-H]-	519.16337	236.3
[M+NH4]+	538.20447	231.1
[M+K]+	559.13381	234.9
[M+H-H2O]+	503.16791	217.4
[M+HCOO]-	565.16885	247.3
[M+CH3COO]-	579.18450	261.4
[M+Na-2H]-	541.14532	227.8
[M]+	520.17010	233.5
[M]-	520.17120	233.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.17793

229.3

[M+Na]+

543.15987

237.5

[M-H]-

519.16337

236.3

[M+NH4]+

538.20447

231.1

[M+K]+

559.13381

234.9

[M+H-H2O]+

503.16791

217.4

[M+HCOO]-

565.16885

247.3

[M+CH3COO]-

579.18450

261.4

[M+Na-2H]-

541.14532

227.8

[M]+

520.17010

233.5

[M]-

520.17120

233.5

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

Streptonigrin hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe