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

19
Patents

231.06439 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07167 147.2
[M+Na]+ 254.05361 155.6
[M-H]- 230.05711 152.6
[M+NH4]+ 249.09821 164.4
[M+K]+ 270.02755 152.6
[M+H-H2O]+ 214.06165 139.8
[M+HCOO]- 276.06259 172.7
[M+CH3COO]- 290.07824 191.4
[M+Na-2H]- 252.03906 151.7
[M]+ 231.06384 146.6
[M]- 231.06494 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