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 143.1
[M+Na]+ 215.09032 151.1
[M+NH4]+ 210.13492 149.8
[M+K]+ 231.06426 146.9
[M-H]- 191.09382 146.1
[M+Na-2H]- 213.07577 148.3
[M]+ 192.10055 144.5
[M]- 192.10165 144.5
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