CID 515644

Methyl 2-(isopropylcarbamoyl)benzimidazole-1-carboxylate

Structural Information

Molecular Formula
C13H15N3O3
SMILES
CC(C)NC(=O)C1=NC2=CC=CC=C2N1C(=O)OC
InChI
InChI=1S/C13H15N3O3/c1-8(2)14-12(17)11-15-9-6-4-5-7-10(9)16(11)13(18)19-3/h4-8H,1-3H3,(H,14,17)
InChIKey
VFSVRWWNAPLBGG-UHFFFAOYSA-N
Compound name
methyl 2-(propan-2-ylcarbamoyl)benzimidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.11133 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11861 158.5
[M+Na]+ 284.10055 167.1
[M-H]- 260.10405 161.2
[M+NH4]+ 279.14515 175.4
[M+K]+ 300.07449 165.2
[M+H-H2O]+ 244.10859 150.9
[M+HCOO]- 306.10953 180.3
[M+CH3COO]- 320.12518 198.2
[M+Na-2H]- 282.08600 161.8
[M]+ 261.11078 162.7
[M]- 261.11188 162.7
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.