CID 6053174

Nsc646783

Structural Information

Molecular Formula
C26H25N6O3
SMILES
CC1=NC2=CC=CC=C2N=C1C/C(=N\NC(=O)C[N+]3=CC=CC=C3)/C(=O)NC4=CC(=CC=C4)OC
InChI
InChI=1S/C26H24N6O3/c1-18-23(29-22-12-5-4-11-21(22)27-18)16-24(26(34)28-19-9-8-10-20(15-19)35-2)30-31-25(33)17-32-13-6-3-7-14-32/h3-15H,16-17H2,1-2H3,(H-,28,31,33,34)/p+1
InChIKey
YLQXBSPUPUNZMI-UHFFFAOYSA-O
Compound name
(2E)-N-(3-methoxyphenyl)-3-(3-methylquinoxalin-2-yl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.19882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.20610 213.9
[M+Na]+ 492.18804 216.7
[M-H]- 468.19154 221.1
[M+NH4]+ 487.23264 216.7
[M+K]+ 508.16198 205.8
[M+H-H2O]+ 452.19608 202.5
[M+HCOO]- 514.19702 232.8
[M+CH3COO]- 528.21267 237.5
[M+Na-2H]- 490.17349 221.5
[M]+ 469.19827 213.8
[M]- 469.19937 213.8
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.