CID 3009965

N-[(1-acetylbenzimidazol-2-yl)-phenyl-methyl]acetamide

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CC(=O)NC(C1=CC=CC=C1)C2=NC3=CC=CC=C3N2C(=O)C
InChI
InChI=1S/C18H17N3O2/c1-12(22)19-17(14-8-4-3-5-9-14)18-20-15-10-6-7-11-16(15)21(18)13(2)23/h3-11,17H,1-2H3,(H,19,22)
InChIKey
LKIDRELJJIYFDP-UHFFFAOYSA-N
Compound name
N-[(1-acetylbenzimidazol-2-yl)-phenylmethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.13208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 172.0
[M+Na]+ 330.12130 179.6
[M-H]- 306.12480 177.6
[M+NH4]+ 325.16590 186.3
[M+K]+ 346.09524 175.3
[M+H-H2O]+ 290.12934 162.9
[M+HCOO]- 352.13028 193.2
[M+CH3COO]- 366.14593 207.6
[M+Na-2H]- 328.10675 175.0
[M]+ 307.13153 174.0
[M]- 307.13263 174.0
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.