CID 3049547

Urea, n-(aminoiminomethyl)-n'-(2-chloro-6-methylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C9H11ClN4O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)N=C(N)N
InChI
InChI=1S/C9H11ClN4O/c1-5-3-2-4-6(10)7(5)13-9(15)14-8(11)12/h2-4H,1H3,(H5,11,12,13,14,15)
InChIKey
MSXDAEZTXQQLTJ-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-(diaminomethylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

226.06213 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06941 150.7
[M+Na]+ 249.05135 158.0
[M-H]- 225.05485 155.2
[M+NH4]+ 244.09595 168.9
[M+K]+ 265.02529 154.6
[M+H-H2O]+ 209.05939 144.7
[M+HCOO]- 271.06033 173.6
[M+CH3COO]- 285.07598 199.0
[M+Na-2H]- 247.03680 153.7
[M]+ 226.06158 148.8
[M]- 226.06268 148.8
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