CID 68919

Lidanserin

Structural Information

Molecular Formula
C26H31FN2O4
SMILES
COC1=C(C=C(C=C1)C2CC(=O)NC2)OCCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H31FN2O4/c1-32-23-8-5-20(21-16-25(30)28-17-21)15-24(23)33-14-2-11-29-12-9-19(10-13-29)26(31)18-3-6-22(27)7-4-18/h3-8,15,19,21H,2,9-14,16-17H2,1H3,(H,28,30)
InChIKey
JDYWZVJXSMADHP-UHFFFAOYSA-N
Compound name
4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propoxy]-4-methoxyphenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

172
Patents

454.22678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.234056 211.2
[M+Na]+ 477.215998 213.4
[M-H]- 453.219504 217.0
[M+NH4]+ 472.260603 216.9
[M+K]+ 493.189938 207.1
[M+H-H2O]+ 437.224040 198.5
[M+HCOO]- 499.224981 222.3
[M+CH3COO]- 513.240631 230.3
[M+Na-2H]- 475.201446 204.3
[M]+ 454.22623142 206.3
[M]- 454.22732858 206.3
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.