CID 3057581

Urea, 1-amidino-3-(p-chlorophenyl)-, hydrochloride

Structural Information

Molecular Formula
C8H9ClN4O
SMILES
C1=CC(=CC=C1NC(=O)N=C(N)N)Cl
InChI
InChI=1S/C8H9ClN4O/c9-5-1-3-6(4-2-5)12-8(14)13-7(10)11/h1-4H,(H5,10,11,12,13,14)
InChIKey
OAKCJHAPBFOKKR-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(diaminomethylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0465 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05378 145.5
[M+Na]+ 235.03572 152.3
[M-H]- 211.03922 149.8
[M+NH4]+ 230.08032 164.0
[M+K]+ 251.00966 149.1
[M+H-H2O]+ 195.04376 139.4
[M+HCOO]- 257.04470 168.8
[M+CH3COO]- 271.06035 194.7
[M+Na-2H]- 233.02117 149.8
[M]+ 212.04595 143.0
[M]- 212.04705 143.0
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

No patent data available for this compound.