CID 3052336

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

Structural Information

Molecular Formula
C9H12N4O
SMILES
CC1=CC=CC=C1NC(=O)N=C(N)N
InChI
InChI=1S/C9H12N4O/c1-6-4-2-3-5-7(6)12-9(14)13-8(10)11/h2-5H,1H3,(H5,10,11,12,13,14)
InChIKey
RJICNLNGQVRPDM-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

192.1011 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10838 142.0
[M+Na]+ 215.09032 147.6
[M-H]- 191.09382 146.4
[M+NH4]+ 210.13492 160.4
[M+K]+ 231.06426 146.3
[M+H-H2O]+ 175.09836 134.7
[M+HCOO]- 237.09930 169.5
[M+CH3COO]- 251.11495 194.0
[M+Na-2H]- 213.07577 146.4
[M]+ 192.10055 137.6
[M]- 192.10165 137.6
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