CID 5746146

50309-23-4

Structural Information

Molecular Formula
C26H27N8O
SMILES
C/C(=N\N=C(N)N)/C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=C4C=CC(=CC4=[N+](C=C3)C)N
InChI
InChI=1S/C26H26N8O/c1-16(32-33-26(28)29)17-3-5-18(6-4-17)25(35)31-21-10-8-20(9-11-21)30-23-13-14-34(2)24-15-19(27)7-12-22(23)24/h3-15H,1-2H3,(H7,27,28,29,30,31,32,33,35)/p+1
InChIKey
BESIRWXDBOAGHC-UHFFFAOYSA-O
Compound name
N-[4-[(7-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

467.23077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.23805 209.9
[M+Na]+ 490.21999 212.4
[M-H]- 466.22349 220.2
[M+NH4]+ 485.26459 215.2
[M+K]+ 506.19393 202.4
[M+H-H2O]+ 450.22803 200.1
[M+HCOO]- 512.22897 234.8
[M+CH3COO]- 526.24462 252.0
[M+Na-2H]- 488.20544 215.7
[M]+ 467.23022 204.4
[M]- 467.23132 204.4
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.