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 232.5
[M+Na]+ 589.14986 230.2
[M-H]- 565.15336 240.4
[M+NH4]+ 584.19446 232.6
[M+K]+ 605.12380 226.8
[M+H-H2O]+ 549.15790 218.0
[M+HCOO]- 611.15884 253.5
[M+CH3COO]- 625.17449 252.7
[M+Na-2H]- 587.13531 228.5
[M]+ 566.16009 229.6
[M]- 566.16119 229.6
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.