CID 62208

Debacarb

Structural Information

Molecular Formula
C14H19N3O4
SMILES
CCOCCOCCOC(=O)NC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C14H19N3O4/c1-2-19-7-8-20-9-10-21-14(18)17-13-15-11-5-3-4-6-12(11)16-13/h3-6H,2,7-10H2,1H3,(H2,15,16,17,18)
InChIKey
DNBMPXLFKQCOBV-UHFFFAOYSA-N
Compound name
2-(2-ethoxyethoxy)ethyl N-(1H-benzimidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

21771
Patents

293.13754 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.144816 165.1
[M+Na]+ 316.126758 171.8
[M-H]- 292.130264 165.4
[M+NH4]+ 311.171363 179.5
[M+K]+ 332.100698 169.0
[M+H-H2O]+ 276.134800 156.5
[M+HCOO]- 338.135741 187.0
[M+CH3COO]- 352.151391 199.3
[M+Na-2H]- 314.112206 170.7
[M]+ 293.13699142 170.7
[M]- 293.13808858 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe