CID 3034126

Meperidide

Structural Information

Molecular Formula
C27H33FN2O2
SMILES
CC1=CC(=CC=C1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N4CCCC4
InChI
InChI=1S/C27H33FN2O2/c1-21-6-4-7-23(20-21)27(26(32)30-16-2-3-17-30)13-18-29(19-14-27)15-5-8-25(31)22-9-11-24(28)12-10-22/h4,6-7,9-12,20H,2-3,5,8,13-19H2,1H3
InChIKey
QFLXBYDLGCRGPT-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[4-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.2526 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.25988 210.0
[M+Na]+ 459.24182 211.7
[M-H]- 435.24532 216.6
[M+NH4]+ 454.28642 218.9
[M+K]+ 475.21576 205.4
[M+H-H2O]+ 419.24986 197.0
[M+HCOO]- 481.25080 221.0
[M+CH3COO]- 495.26645 228.4
[M+Na-2H]- 457.22727 203.8
[M]+ 436.25205 203.2
[M]- 436.25315 203.2
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.