CID 53492891

31430-19-0

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H15N3O3/c1-2-23-17(22)20-16-18-13-9-8-12(10-14(13)19-16)15(21)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,18,19,20,22)
InChIKey
NKAOSHOZUSWEMQ-UHFFFAOYSA-N
Compound name
ethyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.11133 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 170.0
[M+Na]+ 332.10055 177.7
[M-H]- 308.10405 174.3
[M+NH4]+ 327.14515 183.5
[M+K]+ 348.07449 173.0
[M+H-H2O]+ 292.10859 161.0
[M+HCOO]- 354.10953 191.2
[M+CH3COO]- 368.12518 203.5
[M+Na-2H]- 330.08600 174.4
[M]+ 309.11078 171.8
[M]- 309.11188 171.8
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

patents stripe