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]+ 384.232176 196.0
[M+Na]+ 406.214118 197.6
[M-H]- 382.217624 203.8
[M+NH4]+ 401.258723 203.6
[M+K]+ 422.188058 190.5
[M+H-H2O]+ 366.222160 184.3
[M+HCOO]- 428.223101 209.9
[M+CH3COO]- 442.238751 202.8
[M+Na-2H]- 404.199566 198.3
[M]+ 383.22435142 190.1
[M]- 383.22544858 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.