CID 133065621

102259-82-5

Structural Information

Molecular Formula
C26H28N7O2
SMILES
CC(=O)C1(C=CC(C=C1)NC(=O)C2=CC=C(C=C2)NC3=CC=[N+](C4=CC=CC=C34)C)NN=C(N)N
InChI
InChI=1S/C26H27N7O2/c1-17(34)26(32-31-25(27)28)14-11-20(12-15-26)30-24(35)18-7-9-19(10-8-18)29-22-13-16-33(2)23-6-4-3-5-21(22)23/h3-16,20,32H,1-2H3,(H5,27,28,30,31,35)/p+1
InChIKey
FQXDVPGZQKLWIU-UHFFFAOYSA-O
Compound name
N-[4-acetyl-4-[2-(diaminomethylidene)hydrazinyl]cyclohexa-2,5-dien-1-yl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.23044 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.23772 208.6
[M+Na]+ 493.21966 210.5
[M-H]- 469.22316 217.5
[M+NH4]+ 488.26426 215.2
[M+K]+ 509.19360 200.9
[M+H-H2O]+ 453.22770 199.5
[M+HCOO]- 515.22864 230.6
[M+CH3COO]- 529.24429 246.7
[M+Na-2H]- 491.20511 215.6
[M]+ 470.22989 202.8
[M]- 470.23099 202.8
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.