CID 6338154

50309-09-6

Structural Information

Molecular Formula
C26H25N8O3
SMILES
C/C(=N\N=C(N)N)/C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=[N+](C=C3)C)[N+](=O)[O-]
InChI
InChI=1S/C26H24N8O3/c1-16(31-32-26(27)28)17-3-7-20(8-4-17)30-25(35)18-5-9-19(10-6-18)29-23-13-14-33(2)24-15-21(34(36)37)11-12-22(23)24/h3-15H,1-2H3,(H5,27,28,30,31,32,35)/p+1
InChIKey
VPLTVOYIXBNGMH-UHFFFAOYSA-O
Compound name
N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-4-[(1-methyl-7-nitroquinolin-1-ium-4-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

497.20496 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.21224 211.5
[M+Na]+ 520.19418 211.5
[M-H]- 496.19768 221.4
[M+NH4]+ 515.23878 214.4
[M+K]+ 536.16812 198.3
[M+H-H2O]+ 480.20222 205.4
[M+HCOO]- 542.20316 235.8
[M+CH3COO]- 556.21881 247.0
[M+Na-2H]- 518.17963 219.9
[M]+ 497.20441 205.4
[M]- 497.20551 205.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.