CID 73326

Dtxsid70943334

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

1
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

literature stripe

Patent stripe

patents stripe