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

11
Patents

206.11676 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12404 146.6
[M+Na]+ 229.10598 151.8
[M-H]- 205.10948 151.3
[M+NH4]+ 224.15058 164.8
[M+K]+ 245.07992 150.6
[M+H-H2O]+ 189.11402 139.1
[M+HCOO]- 251.11496 174.4
[M+CH3COO]- 265.13061 196.9
[M+Na-2H]- 227.09143 151.6
[M]+ 206.11621 143.5
[M]- 206.11731 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