CID 5747429

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

Structural Information

Molecular Formula
C17H13BrN2O4
SMILES
C1=CC=C(C=C1)C(=O)NNC(=O)C(=O)/C=C(/C2=CC=C(C=C2)Br)\O
InChI
InChI=1S/C17H13BrN2O4/c18-13-8-6-11(7-9-13)14(21)10-15(22)17(24)20-19-16(23)12-4-2-1-3-5-12/h1-10,21H,(H,19,23)(H,20,24)/b14-10-
InChIKey
TWHQIWIUFTXHHJ-UVTDQMKNSA-N
Compound name
N'-[(Z)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoyl]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.00586 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.01314 179.9
[M+Na]+ 410.99508 185.9
[M-H]- 386.99858 186.7
[M+NH4]+ 406.03968 192.7
[M+K]+ 426.96902 174.0
[M+H-H2O]+ 371.00312 176.7
[M+HCOO]- 433.00406 198.5
[M+CH3COO]- 447.01971 214.3
[M+Na-2H]- 408.98053 181.9
[M]+ 388.00531 195.4
[M]- 388.00641 195.4
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.