CID 492222

2-[(4-fluorophenyl)methoxy]ethyl-trimethyl-[?]

Structural Information

Molecular Formula
C24H33FO5
SMILES
C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)CCOCC5=CC=C(C=C5)F)C
InChI
InChI=1S/C24H33FO5/c1-15-4-9-20-16(2)21(11-13-26-14-17-5-7-18(25)8-6-17)27-22-24(20)19(15)10-12-23(3,28-22)29-30-24/h5-8,15-16,19-22H,4,9-14H2,1-3H3/t15-,16-,19+,20+,21-,22-,23?,24-/m1/s1
InChIKey
AAAIJRIEGUHNCI-WAKSJLJJSA-N
Compound name
(4S,5R,8S,9R,10R,12R,13R)-10-[2-[(4-fluorophenyl)methoxy]ethyl]-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.2312 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.23848 191.9
[M+Na]+ 443.22042 199.0
[M-H]- 419.22392 198.4
[M+NH4]+ 438.26502 204.9
[M+K]+ 459.19436 196.2
[M+H-H2O]+ 403.22846 187.2
[M+HCOO]- 465.22940 193.8
[M+CH3COO]- 479.24505 198.6
[M+Na-2H]- 441.20587 197.8
[M]+ 420.23065 192.6
[M]- 420.23175 192.6
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

No patent data available for this compound.