CID 135905110

3-maleimidobenzoic acid hydrazide hydrochloride

Structural Information

Molecular Formula
C11H9N3O3
SMILES
C1=CC(=CC=C1C(=O)N=N)N2C(=CC=C2O)O
InChI
InChI=1S/C11H9N3O3/c12-13-11(17)7-1-3-8(4-2-7)14-9(15)5-6-10(14)16/h1-6,12,15-16H
InChIKey
WPXKMTAMJQFGEO-UHFFFAOYSA-N
Compound name
4-(2,5-dihydroxypyrrol-1-yl)-N-iminobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

231.06439 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.071666 147.2
[M+Na]+ 254.053608 155.6
[M-H]- 230.057114 152.6
[M+NH4]+ 249.098213 164.4
[M+K]+ 270.027548 152.6
[M+H-H2O]+ 214.061650 139.8
[M+HCOO]- 276.062591 172.7
[M+CH3COO]- 290.078241 191.4
[M+Na-2H]- 252.039056 151.7
[M]+ 231.06384142 146.6
[M]- 231.06493858 146.6
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

patents stripe