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 169.8
[M+NH4]+ 281.16080 165.2
[M+K]+ 302.09014 167.1
[M-H]- 262.11970 159.0
[M+Na-2H]- 284.10165 163.1
[M]+ 263.12643 160.4
[M]- 263.12753 160.4
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.