CID 12287571

102584-34-9

Structural Information

Molecular Formula
C24H30FNO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OC(CCCN2CCCC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H30FNO5/c1-28-21-15-18(16-22(29-2)23(21)30-3)24(27)31-20(17-8-10-19(25)11-9-17)7-6-14-26-12-4-5-13-26/h8-11,15-16,20H,4-7,12-14H2,1-3H3
InChIKey
CMOBZIAOPZXZTB-UHFFFAOYSA-N
Compound name
[1-(4-fluorophenyl)-4-pyrrolidin-1-ylbutyl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.21082 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.21810 204.5
[M+Na]+ 454.20004 208.4
[M-H]- 430.20354 210.8
[M+NH4]+ 449.24464 214.0
[M+K]+ 470.17398 205.4
[M+H-H2O]+ 414.20808 193.4
[M+HCOO]- 476.20902 221.3
[M+CH3COO]- 490.22467 228.5
[M+Na-2H]- 452.18549 199.6
[M]+ 431.21027 208.3
[M]- 431.21137 208.3
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.