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]+ 264.134256 159.4
[M+Na]+ 286.116198 167.5
[M-H]- 262.119704 160.6
[M+NH4]+ 281.160803 175.6
[M+K]+ 302.090138 164.8
[M+H-H2O]+ 246.124240 151.8
[M+HCOO]- 308.125181 180.5
[M+CH3COO]- 322.140831 196.3
[M+Na-2H]- 284.101646 163.5
[M]+ 263.12643142 163.1
[M]- 263.12752858 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.