CID 51056301

Ethyl 5-isopropoxy-1h-benzimidazol-2-ylcarbamate

Structural Information

Molecular Formula
C13H17N3O3
SMILES
CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)OC(C)C
InChI
InChI=1S/C13H17N3O3/c1-4-18-13(17)16-12-14-10-6-5-9(19-8(2)3)7-11(10)15-12/h5-8H,4H2,1-3H3,(H2,14,15,16,17)
InChIKey
RPMANRRILJNZOX-UHFFFAOYSA-N
Compound name
ethyl N-(6-propan-2-yloxy-1H-benzimidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12698 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 159.4
[M+Na]+ 286.11620 167.5
[M-H]- 262.11970 160.6
[M+NH4]+ 281.16080 175.6
[M+K]+ 302.09014 164.8
[M+H-H2O]+ 246.12424 151.8
[M+HCOO]- 308.12518 180.5
[M+CH3COO]- 322.14083 196.3
[M+Na-2H]- 284.10165 163.5
[M]+ 263.12643 163.1
[M]- 263.12753 163.1
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.