CID 51056299

882865-01-2

Structural Information

Molecular Formula
C13H17N3O4
SMILES
CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)OCCOC
InChI
InChI=1S/C13H17N3O4/c1-3-19-13(17)16-12-14-10-5-4-9(8-11(10)15-12)20-7-6-18-2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15,16,17)
InChIKey
DQSOLQWOBDKREY-UHFFFAOYSA-N
Compound name
ethyl N-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12192 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12920 161.1
[M+Na]+ 302.11114 169.2
[M-H]- 278.11464 162.1
[M+NH4]+ 297.15574 176.5
[M+K]+ 318.08508 166.7
[M+H-H2O]+ 262.11918 153.1
[M+HCOO]- 324.12012 183.4
[M+CH3COO]- 338.13577 197.5
[M+Na-2H]- 300.09659 166.5
[M]+ 279.12137 166.8
[M]- 279.12247 166.8
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.