PubChemLite - Streptonigrin hydroxyamide (C25H23N5O8)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=C(N=C1C(=O)N=O)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/C25H23N5O8/c1-9-14(10-6-8-13(36-2)23(37-3)20(10)31)15(26)19(29-17(9)25(34)30-35)12-7-5-11-18(28-12)22(33)16(27)24(38-4)21(11)32/h5-8,31-33H,26-27H2,1-4H3

InChIKey

UYZSTYYAUJDNCP-UHFFFAOYSA-N

Compound name

5-amino-6-(7-amino-5,8-dihydroxy-6-methoxyquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-N-oxopyridine-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]+	522.16194	228.1
[M+Na]+	544.14388	236.8
[M-H]-	520.14738	235.1
[M+NH4]+	539.18848	230.0
[M+K]+	560.11782	234.8
[M+H-H2O]+	504.15192	216.1
[M+HCOO]-	566.15286	245.2
[M+CH3COO]-	580.16851	258.1
[M+Na-2H]-	542.12933	226.1
[M]+	521.15411	234.3
[M]-	521.15521	234.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

522.16194

228.1

[M+Na]+

544.14388

236.8

[M-H]-

520.14738

235.1

[M+NH4]+

539.18848

230.0

[M+K]+

560.11782

234.8

[M+H-H2O]+

504.15192

216.1

[M+HCOO]-

566.15286

245.2

[M+CH3COO]-

580.16851

258.1

[M+Na-2H]-

542.12933

226.1

[M]+

521.15411

234.3

[M]-

521.15521

234.3

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

Streptonigrin hydroxyamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe