CID 3057609

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

Structural Information

Molecular Formula
C8H11N5O
SMILES
C1=CC(=CC=C1N)NC(=O)N=C(N)N
InChI
InChI=1S/C8H11N5O/c9-5-1-3-6(4-2-5)12-8(14)13-7(10)11/h1-4H,9H2,(H5,10,11,12,13,14)
InChIKey
DPELYXBUBYOXJW-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-3-(diaminomethylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09636 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.103636 140.3
[M+Na]+ 216.085578 145.5
[M-H]- 192.089084 144.3
[M+NH4]+ 211.130183 158.0
[M+K]+ 232.059518 144.2
[M+H-H2O]+ 176.093620 132.7
[M+HCOO]- 238.094561 168.4
[M+CH3COO]- 252.110211 196.0
[M+Na-2H]- 214.071026 144.6
[M]+ 193.09581142 133.8
[M]- 193.09690858 133.8
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

No patent data available for this compound.