CID 199349

4059-22-7

Structural Information

Molecular Formula
C27H29NO
SMILES
CC(CN1CCC(=CC1)C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C27H29NO/c1-22(21-28-19-17-24(18-20-28)23-11-5-2-6-12-23)27(29,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-17,22,29H,18-21H2,1H3
InChIKey
LESFALIMAFGVRU-UHFFFAOYSA-N
Compound name
2-methyl-1,1-diphenyl-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

0
Patents

383.2249 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.23218 196.0
[M+Na]+ 406.21412 197.6
[M-H]- 382.21762 203.8
[M+NH4]+ 401.25872 203.6
[M+K]+ 422.18806 190.5
[M+H-H2O]+ 366.22216 184.3
[M+HCOO]- 428.22310 209.9
[M+CH3COO]- 442.23875 202.8
[M+Na-2H]- 404.19957 198.3
[M]+ 383.22435 190.1
[M]- 383.22545 190.1
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.