CID 5747434

149990-83-0

Structural Information

Molecular Formula
C32H27N2O5P
SMILES
CC1=CC=C(C=C1)/C(=C/C(=O)C(=O)NNC(=O)C(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/O
InChI
InChI=1S/C32H27N2O5P/c1-23-17-19-24(20-18-23)28(35)21-29(36)31(38)33-34-32(39)30(37)22-40(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-22,35H,1H3,(H,33,38)(H,34,39)/b28-21-
InChIKey
FTKLXUMOVXINOL-HFTWOUSFSA-N
Compound name
(Z)-4-hydroxy-4-(4-methylphenyl)-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

550.1658 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.17308 230.1
[M+Na]+ 573.15502 239.9
[M+NH4]+ 568.19962 232.7
[M+K]+ 589.12896 234.5
[M-H]- 549.15852 235.4
[M+Na-2H]- 571.14047 238.6
[M]+ 550.16525 232.5
[M]- 550.16635 232.5
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.