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]+ 280.129196 161.1
[M+Na]+ 302.111138 169.2
[M-H]- 278.114644 162.1
[M+NH4]+ 297.155743 176.5
[M+K]+ 318.085078 166.7
[M+H-H2O]+ 262.119180 153.1
[M+HCOO]- 324.120121 183.4
[M+CH3COO]- 338.135771 197.5
[M+Na-2H]- 300.096586 166.5
[M]+ 279.12137142 166.8
[M]- 279.12246858 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.