CID 5747435

149990-84-1

Structural Information

Molecular Formula
C32H27N2O6P
SMILES
COC1=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/C32H27N2O6P/c1-40-24-19-17-23(18-20-24)28(35)21-29(36)31(38)33-34-32(39)30(37)22-41(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
ZNHNXMZWOZJMNZ-HFTWOUSFSA-N
Compound name
(Z)-4-hydroxy-4-(4-methoxyphenyl)-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

566.16064 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.16792 232.1
[M+Na]+ 589.14986 241.4
[M+NH4]+ 584.19446 234.1
[M+K]+ 605.12380 236.6
[M-H]- 565.15336 236.9
[M+Na-2H]- 587.13531 240.2
[M]+ 566.16009 234.2
[M]- 566.16119 234.2
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.