CID 71751823

Propofol glucuronide

Structural Information

Molecular Formula
C18H26O7
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C18H26O7/c1-8(2)10-6-5-7-11(9(3)4)15(10)24-18-14(21)12(19)13(20)16(25-18)17(22)23/h5-9,12-14,16,18-21H,1-4H3,(H,22,23)/t12-,13-,14+,16-,18+/m0/s1
InChIKey
JZSJIASBMOIIKI-RUKPJNHUSA-N
Compound name
(2S,3S,4S,5R,6S)-6-[2,6-di(propan-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

354.16785 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17513 182.4
[M+Na]+ 377.15707 190.7
[M+NH4]+ 372.20167 185.9
[M+K]+ 393.13101 189.6
[M-H]- 353.16057 182.9
[M+Na-2H]- 375.14252 181.9
[M]+ 354.16730 183.2
[M]- 354.16840 183.2
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

patents stripe