CID 505017

3-(1h-imidazol-2-yl)-n-(2-naphthylmethyl)-3-oxo-n-phenyl-propanamide

Structural Information

Molecular Formula
C23H19N3O2
SMILES
C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CN4
InChI
InChI=1S/C23H19N3O2/c27-21(23-24-12-13-25-23)15-22(28)26(20-8-2-1-3-9-20)16-17-10-11-18-6-4-5-7-19(18)14-17/h1-14H,15-16H2,(H,24,25)
InChIKey
HQSFZJGVCJOAIV-UHFFFAOYSA-N
Compound name
3-(1H-imidazol-2-yl)-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.14774 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15502 187.3
[M+Na]+ 392.13696 192.7
[M-H]- 368.14046 195.1
[M+NH4]+ 387.18156 197.8
[M+K]+ 408.11090 186.7
[M+H-H2O]+ 352.14500 176.3
[M+HCOO]- 414.14594 207.8
[M+CH3COO]- 428.16159 196.5
[M+Na-2H]- 390.12241 190.8
[M]+ 369.14719 187.8
[M]- 369.14829 187.8
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.