CID 52241

1-amidino-3-(p-carboxyphenyl)urea hydrochloride

Structural Information

Molecular Formula
C9H10N4O3
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)N=C(N)N
InChI
InChI=1S/C9H10N4O3/c10-8(11)13-9(16)12-6-3-1-5(2-4-6)7(14)15/h1-4H,(H,14,15)(H5,10,11,12,13,16)
InChIKey
NAAIRQUQXOZINA-UHFFFAOYSA-N
Compound name
4-(diaminomethylidenecarbamoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.07529 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08257 148.4
[M+Na]+ 245.06451 154.5
[M+NH4]+ 240.10911 153.1
[M+K]+ 261.03845 152.5
[M-H]- 221.06801 149.3
[M+Na-2H]- 243.04996 151.6
[M]+ 222.07474 148.6
[M]- 222.07584 148.6
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.