CID 11676119

In-1130

Structural Information

Molecular Formula
C25H20N6O
SMILES
CC1=NC(=CC=C1)C2=C(N=C(N2)CC3=CC(=CC=C3)C(=O)N)C4=CC5=NC=CN=C5C=C4
InChI
InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
InChIKey
RYKSGWSKILPDDY-UHFFFAOYSA-N
Compound name
3-[[5-(6-methylpyridin-2-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

435
Patents

420.16986 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.17714 203.0
[M+Na]+ 443.15908 220.9
[M+NH4]+ 438.20368 208.8
[M+K]+ 459.13302 214.0
[M-H]- 419.16258 209.7
[M+Na-2H]- 441.14453 214.2
[M]+ 420.16931 207.5
[M]- 420.17041 207.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe