CID 3052218

Urea, 1-methylamidino-3-(o-tolyl)-, hydrochloride

Structural Information

Molecular Formula
C10H14N4O
SMILES
CC1=CC=CC=C1NC(=O)NC(=NC)N
InChI
InChI=1S/C10H14N4O/c1-7-5-3-4-6-8(7)13-10(15)14-9(11)12-2/h3-6H,1-2H3,(H4,11,12,13,14,15)
InChIKey
ULWSNVUIWGOJMB-UHFFFAOYSA-N
Compound name
1-(N'-methylcarbamimidoyl)-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

206.11676 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.124036 146.6
[M+Na]+ 229.105978 151.8
[M-H]- 205.109484 151.3
[M+NH4]+ 224.150583 164.8
[M+K]+ 245.079918 150.6
[M+H-H2O]+ 189.114020 139.1
[M+HCOO]- 251.114961 174.4
[M+CH3COO]- 265.130611 196.9
[M+Na-2H]- 227.091426 151.6
[M]+ 206.11621142 143.5
[M]- 206.11730858 143.5
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