CID 3072611

3,6-dihydro-alpha-(4-((4-chlorophenyl)methyl)phenyl)-4-phenyl-1(2h)-pyridinepropanol

Structural Information

Molecular Formula
C27H28ClNO
SMILES
C1CN(CC=C1C2=CC=CC=C2)CCC(C3=CC=C(C=C3)CC4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C27H28ClNO/c28-26-12-8-22(9-13-26)20-21-6-10-25(11-7-21)27(30)16-19-29-17-14-24(15-18-29)23-4-2-1-3-5-23/h1-14,27,30H,15-20H2
InChIKey
JENXCJFCDKATHK-UHFFFAOYSA-N
Compound name
1-[4-[(4-chlorophenyl)methyl]phenyl]-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

417.18594 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.19322 203.8
[M+Na]+ 440.17516 207.7
[M-H]- 416.17866 211.7
[M+NH4]+ 435.21976 211.5
[M+K]+ 456.14910 198.6
[M+H-H2O]+ 400.18320 192.0
[M+HCOO]- 462.18414 214.8
[M+CH3COO]- 476.19979 210.7
[M+Na-2H]- 438.16061 203.2
[M]+ 417.18539 201.8
[M]- 417.18649 201.8
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

patents stripe