CID 9579167

Chembl132833

Structural Information

Molecular Formula
C10H12N4O2
SMILES
C/C(=N\N=C(N)N)/C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H12N4O2/c1-6(13-14-10(11)12)7-2-4-8(5-3-7)9(15)16/h2-5H,1H3,(H,15,16)(H4,11,12,14)/b13-6+
InChIKey
SLZWIZAFFHPEPS-AWNIVKPZSA-N
Compound name
4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

220.09602 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 148.7
[M+Na]+ 243.08524 153.6
[M-H]- 219.08874 152.9
[M+NH4]+ 238.12984 165.6
[M+K]+ 259.05918 152.6
[M+H-H2O]+ 203.09328 141.0
[M+HCOO]- 265.09422 175.2
[M+CH3COO]- 279.10987 200.1
[M+Na-2H]- 241.07069 151.4
[M]+ 220.09547 144.8
[M]- 220.09657 144.8
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.