PubChemLite - Streptonigrin amide (C25H23N5O7)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=C(N=C1C(=O)N)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O

InChI

InChI=1S/C25H23N5O7/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)31)15(26)19(30-17(9)25(28)34)12-7-5-11-18(29-12)22(33)16(27)24(37-4)21(11)32/h5-8,31H,26-27H2,1-4H3,(H2,28,34)

InChIKey

MLMZLPRPSYOVAX-UHFFFAOYSA-N

Compound name

5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-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]+	506.16704	226.1
[M+Na]+	528.14898	235.1
[M-H]-	504.15248	233.5
[M+NH4]+	523.19358	229.1
[M+K]+	544.12292	231.9
[M+H-H2O]+	488.15702	214.4
[M+HCOO]-	550.15796	242.8
[M+CH3COO]-	564.17361	257.6
[M+Na-2H]-	526.13443	222.3
[M]+	505.15921	229.8
[M]-	505.16031	229.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

506.16704

226.1

[M+Na]+

528.14898

235.1

[M-H]-

504.15248

233.5

[M+NH4]+

523.19358

229.1

[M+K]+

544.12292

231.9

[M+H-H2O]+

488.15702

214.4

[M+HCOO]-

550.15796

242.8

[M+CH3COO]-

564.17361

257.6

[M+Na-2H]-

526.13443

222.3

[M]+

505.15921

229.8

[M]-

505.16031

229.8

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

Streptonigrin amide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe