CID 53344810

Azd8542

Structural Information

Molecular Formula
C25H24N4O2
SMILES
CC1=CC(=C(C=C1C2=CN(C=N2)C)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=N4)C
InChI
InChI=1S/C25H24N4O2/c1-17-12-18(2)23(13-22(17)24-14-29(3)16-27-24)28-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14,16H,15H2,1-3H3,(H,28,30)
InChIKey
SMQVBAGSZVHCJP-UHFFFAOYSA-N
Compound name
N-[2,4-dimethyl-5-(1-methylimidazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

412.1899 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.19718 203.2
[M+Na]+ 435.17912 219.3
[M+NH4]+ 430.22372 209.5
[M+K]+ 451.15306 212.5
[M-H]- 411.18262 210.4
[M+Na-2H]- 433.16457 214.0
[M]+ 412.18935 207.6
[M]- 412.19045 207.6
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