CID 3050477

66473-19-6

Structural Information

Molecular Formula
C18H18N4O3
SMILES
C1=CC=C(C=C1)OCC(=O)NC(=O)NCCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C18H18N4O3/c23-17(12-25-14-6-2-1-3-7-14)21-18(24)19-10-11-22-13-20-15-8-4-5-9-16(15)22/h1-9,13H,10-12H2,(H2,19,21,23,24)
InChIKey
RFPNLDCXNWGUGX-UHFFFAOYSA-N
Compound name
N-[2-(benzimidazol-1-yl)ethylcarbamoyl]-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.13788 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.145156 176.3
[M+Na]+ 361.127098 182.2
[M-H]- 337.130604 181.4
[M+NH4]+ 356.171703 188.7
[M+K]+ 377.101038 178.1
[M+H-H2O]+ 321.135140 166.2
[M+HCOO]- 383.136081 199.8
[M+CH3COO]- 397.151731 212.1
[M+Na-2H]- 359.112546 182.2
[M]+ 338.13733142 179.1
[M]- 338.13842858 179.1
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.