CID 3021412

Brn 5762461

Structural Information

Molecular Formula
C27H29N
SMILES
CC1=C(CCN(C1C2=CC=CC=C2)CCCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H29N/c1-22-26(24-15-7-3-8-16-24)19-21-28(27(22)25-17-9-4-10-18-25)20-11-14-23-12-5-2-6-13-23/h2-10,12-13,15-18,27H,11,14,19-21H2,1H3
InChIKey
UIXRABIRDDPMEU-UHFFFAOYSA-N
Compound name
5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.23 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.23728 196.7
[M+Na]+ 390.21922 215.0
[M+NH4]+ 385.26382 206.6
[M+K]+ 406.19316 202.3
[M-H]- 366.22272 207.0
[M+Na-2H]- 388.20467 210.0
[M]+ 367.22945 202.7
[M]- 367.23055 202.7
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.