CID 133633

L-741,626

Structural Information

Molecular Formula
C20H21ClN2O
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
InChIKey
LLBLNMUONVVVPG-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

87
References

40
Patents

340.13425 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14153 180.7
[M+Na]+ 363.12347 188.9
[M-H]- 339.12697 185.7
[M+NH4]+ 358.16807 195.3
[M+K]+ 379.09741 180.0
[M+H-H2O]+ 323.13151 171.1
[M+HCOO]- 385.13245 191.9
[M+CH3COO]- 399.14810 190.0
[M+Na-2H]- 361.10892 183.2
[M]+ 340.13370 178.3
[M]- 340.13480 178.3
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

patents stripe