CID 5747430

149990-79-4

Structural Information

Molecular Formula
C24H20N2O5
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)C(=O)NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)/O
InChI
InChI=1S/C24H20N2O5/c27-20(17-10-4-1-5-11-17)16-21(28)22(29)25-26-23(30)24(31,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,27,31H,(H,25,29)(H,26,30)/b20-16-
InChIKey
COFLNRDIMWAUBQ-SILNSSARSA-N
Compound name
(Z)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxo-4-phenylbut-3-enehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

416.1372 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.14448 196.1
[M+Na]+ 439.12642 196.6
[M-H]- 415.12992 201.9
[M+NH4]+ 434.17102 202.3
[M+K]+ 455.10036 192.7
[M+H-H2O]+ 399.13446 186.5
[M+HCOO]- 461.13540 213.5
[M+CH3COO]- 475.15105 222.4
[M+Na-2H]- 437.11187 198.4
[M]+ 416.13665 191.9
[M]- 416.13775 191.9
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