CID 73326

1-(2-benzimidazolyl)-3-methylurea

Structural Information

Molecular Formula
C9H10N4O
SMILES
CNC(=O)NC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C9H10N4O/c1-10-9(14)13-8-11-6-4-2-3-5-7(6)12-8/h2-5H,1H3,(H3,10,11,12,13,14)
InChIKey
NLWPIMXWKFZVJT-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

190.08546 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 137.6
[M+Na]+ 213.07468 146.3
[M-H]- 189.07818 139.0
[M+NH4]+ 208.11928 156.3
[M+K]+ 229.04862 142.8
[M+H-H2O]+ 173.08272 130.2
[M+HCOO]- 235.08366 161.7
[M+CH3COO]- 249.09931 183.0
[M+Na-2H]- 211.06013 146.2
[M]+ 190.08491 136.6
[M]- 190.08601 136.6
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

patents stripe