CID 25253713

Azd7254

Structural Information

Molecular Formula
C24H22N4O2
SMILES
CC1=CC(=C(C=C1C2=NC=CN2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=N4)C
InChI
InChI=1S/C24H22N4O2/c1-16-13-17(2)22(14-21(16)23-26-11-12-27-23)28-24(29)18-6-8-20(9-7-18)30-15-19-5-3-4-10-25-19/h3-14H,15H2,1-2H3,(H,26,27)(H,28,29)
InChIKey
BEZRNHWRVKFZJX-UHFFFAOYSA-N
Compound name
N-[5-(1H-imidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

398.1743 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 198.9
[M+Na]+ 421.16352 214.3
[M+NH4]+ 416.20812 204.9
[M+K]+ 437.13746 207.8
[M-H]- 397.16702 205.5
[M+Na-2H]- 419.14897 209.6
[M]+ 398.17375 203.0
[M]- 398.17485 203.0
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