CID 5660527

Benzoic acid, 2-amino-, 2-(4-(4-chlorophenyl)-2-hydroxy-1,4-dioxo-2-butenyl)hydrazide, (z)-

Structural Information

Molecular Formula
C17H14ClN3O4
SMILES
C1=CC=C(C(=C1)C(=O)NNC(=O)C(=O)/C=C(/C2=CC=C(C=C2)Cl)\O)N
InChI
InChI=1S/C17H14ClN3O4/c18-11-7-5-10(6-8-11)14(22)9-15(23)17(25)21-20-16(24)12-3-1-2-4-13(12)19/h1-9,22H,19H2,(H,20,24)(H,21,25)/b14-9-
InChIKey
XEXOZIWJEHQBED-ZROIWOOFSA-N
Compound name
2-amino-N'-[(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoyl]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.0673 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.07458 181.5
[M+Na]+ 382.05652 186.3
[M-H]- 358.06002 186.4
[M+NH4]+ 377.10112 192.6
[M+K]+ 398.03046 181.5
[M+H-H2O]+ 342.06456 174.2
[M+HCOO]- 404.06550 199.1
[M+CH3COO]- 418.08115 216.0
[M+Na-2H]- 380.04197 181.2
[M]+ 359.06675 180.1
[M]- 359.06785 180.1
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.