CID 5384362

77217-78-8

Structural Information

Molecular Formula
C23H25O4P
SMILES
CCCCCC1=CC(=C2C3=C(CP(=O)(CC3)C4=CC=CC=C4)C(=O)OC2=C1)O
InChI
InChI=1S/C23H25O4P/c1-2-3-5-8-16-13-20(24)22-18-11-12-28(26,17-9-6-4-7-10-17)15-19(18)23(25)27-21(22)14-16/h4,6-7,9-10,13-14,24H,2-3,5,8,11-12,15H2,1H3
InChIKey
WXSHIJNIWBWTCC-UHFFFAOYSA-N
Compound name
10-hydroxy-3-oxo-8-pentyl-3-phenyl-2,4-dihydro-1H-phosphinino[3,4-c]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.14905 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15633 196.8
[M+Na]+ 419.13827 204.5
[M-H]- 395.14177 203.1
[M+NH4]+ 414.18287 210.3
[M+K]+ 435.11221 199.9
[M+H-H2O]+ 379.14631 184.8
[M+HCOO]- 441.14725 217.7
[M+CH3COO]- 455.16290 222.3
[M+Na-2H]- 417.12372 197.4
[M]+ 396.14850 199.2
[M]- 396.14960 199.2
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.