CID 5747436

149990-85-2

Structural Information

Molecular Formula
C31H24ClN2O5P
SMILES
C1=CC=C(C=C1)P(=CC(=O)C(=O)NNC(=O)C(=O)/C=C(/C2=CC=C(C=C2)Cl)\O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C31H24ClN2O5P/c32-23-18-16-22(17-19-23)27(35)20-28(36)30(38)33-34-31(39)29(37)21-40(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21,35H,(H,33,38)(H,34,39)/b27-20-
InChIKey
ZCUKRGOAHRHPJQ-OOAXWGSJSA-N
Compound name
(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]but-3-enehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.11115 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.11843 232.5
[M+Na]+ 593.10037 243.4
[M+NH4]+ 588.14497 235.5
[M+K]+ 609.07431 237.1
[M-H]- 569.10387 237.8
[M+Na-2H]- 591.08582 241.1
[M]+ 570.11060 235.4
[M]- 570.11170 235.4
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.