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]+ 194.10364 140.3
[M+Na]+ 216.08558 145.5
[M-H]- 192.08908 144.3
[M+NH4]+ 211.13018 158.0
[M+K]+ 232.05952 144.2
[M+H-H2O]+ 176.09362 132.7
[M+HCOO]- 238.09456 168.4
[M+CH3COO]- 252.11021 196.0
[M+Na-2H]- 214.07103 144.6
[M]+ 193.09581 133.8
[M]- 193.09691 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.