CID 3080091

Benzoic acid, 2-hydroxy-3-(1h-imidazol-4-ylmethyl)-, hydrazide

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1=CC(=C(C(=C1)C(=O)NN)O)CC2=CN=CN2
InChI
InChI=1S/C11H12N4O2/c12-15-11(17)9-3-1-2-7(10(9)16)4-8-5-13-6-14-8/h1-3,5-6,16H,4,12H2,(H,13,14)(H,15,17)
InChIKey
KWIPBJZKIGMPLR-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

232.09602 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.103296 149.8
[M+Na]+ 255.085238 156.7
[M-H]- 231.088744 151.5
[M+NH4]+ 250.129843 164.4
[M+K]+ 271.059178 152.3
[M+H-H2O]+ 215.093280 141.5
[M+HCOO]- 277.094221 171.4
[M+CH3COO]- 291.109871 188.7
[M+Na-2H]- 253.070686 153.5
[M]+ 232.09547142 145.7
[M]- 232.09656858 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

patents stripe