CID 3042271

Urea, 1-(2-(1-benzimidazolyl)ethyl)-

Structural Information

Molecular Formula
C10H12N4O
SMILES
C1=CC=C2C(=C1)N=CN2CCNC(=O)N
InChI
InChI=1S/C10H12N4O/c11-10(15)12-5-6-14-7-13-8-3-1-2-4-9(8)14/h1-4,7H,5-6H2,(H3,11,12,15)
InChIKey
JWCNGAUOYRXOJO-UHFFFAOYSA-N
Compound name
2-(benzimidazol-1-yl)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.108376 141.9
[M+Na]+ 227.090318 150.5
[M-H]- 203.093824 143.9
[M+NH4]+ 222.134923 160.4
[M+K]+ 243.064258 147.3
[M+H-H2O]+ 187.098360 134.1
[M+HCOO]- 249.099301 166.6
[M+CH3COO]- 263.114951 188.5
[M+Na-2H]- 225.075766 149.4
[M]+ 204.10055142 142.3
[M]- 204.10164858 142.3
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

No patent data available for this compound.