CID 5468339

Nsc669347

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1CN=C(N1)N/N=C/C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C11H12N4O2/c16-10(17)9-4-2-1-3-8(9)7-14-15-11-12-5-6-13-11/h1-4,7H,5-6H2,(H,16,17)(H2,12,13,15)/b14-7+
InChIKey
JAWWJOZWSGNBQZ-VGOFMYFVSA-N
Compound name
2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 149.6
[M+Na]+ 255.08524 155.3
[M-H]- 231.08874 152.4
[M+NH4]+ 250.12984 164.8
[M+K]+ 271.05918 151.7
[M+H-H2O]+ 215.09328 140.8
[M+HCOO]- 277.09422 172.1
[M+CH3COO]- 291.10987 189.2
[M+Na-2H]- 253.07069 154.5
[M]+ 232.09547 145.7
[M]- 232.09657 145.7
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.