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]+ 193.108376 142.0
[M+Na]+ 215.090318 147.6
[M-H]- 191.093824 146.4
[M+NH4]+ 210.134923 160.4
[M+K]+ 231.064258 146.3
[M+H-H2O]+ 175.098360 134.7
[M+HCOO]- 237.099301 169.5
[M+CH3COO]- 251.114951 194.0
[M+Na-2H]- 213.075766 146.4
[M]+ 192.10055142 137.6
[M]- 192.10164858 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