CID 129318576

Methyl [5-[4-(1-methylethoxy)benzoyl]-1h-benzimidazol-2-yl]carbamate

Structural Information

Molecular Formula
C19H19N3O4
SMILES
CC(C)OC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC
InChI
InChI=1S/C19H19N3O4/c1-11(2)26-14-7-4-12(5-8-14)17(23)13-6-9-15-16(10-13)21-18(20-15)22-19(24)25-3/h4-11H,1-3H3,(H2,20,21,22,24)
InChIKey
OWRVUXUXQZAQDH-UHFFFAOYSA-N
Compound name
methyl N-[6-(4-propan-2-yloxybenzoyl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13754 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 182.1
[M+Na]+ 376.12676 189.2
[M-H]- 352.13026 186.6
[M+NH4]+ 371.17136 193.9
[M+K]+ 392.10070 185.4
[M+H-H2O]+ 336.13480 173.0
[M+HCOO]- 398.13574 201.7
[M+CH3COO]- 412.15139 213.8
[M+Na-2H]- 374.11221 183.7
[M]+ 353.13699 185.8
[M]- 353.13809 185.8
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.