CID 164459

145052-34-2

Structural Information

Molecular Formula
C26H35O7P
SMILES
CC(CC(C)(C)C)CP(=O)(C(=O)C1=C(C=CC=C1OC)OC)C(=O)C2=C(C=CC=C2OC)OC
InChI
InChI=1S/C26H35O7P/c1-17(15-26(2,3)4)16-34(29,24(27)22-18(30-5)11-9-12-19(22)31-6)25(28)23-20(32-7)13-10-14-21(23)33-8/h9-14,17H,15-16H2,1-8H3
InChIKey
LFOXEOLGJPJZAA-UHFFFAOYSA-N
Compound name
[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

27286
Patents

490.21204 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.21932 214.0
[M+Na]+ 513.20126 222.9
[M+NH4]+ 508.24586 216.3
[M+K]+ 529.17520 220.3
[M-H]- 489.20476 213.3
[M+Na-2H]- 511.18671 216.7
[M]+ 490.21149 214.8
[M]- 490.21259 214.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe