CID 118703

3,5-diethyl-1-phenyl-2-propyl-1,2-dihydropyridine

Structural Information

Molecular Formula
C18H25N
SMILES
CCCC1C(=CC(=CN1C2=CC=CC=C2)CC)CC
InChI
InChI=1S/C18H25N/c1-4-10-18-16(6-3)13-15(5-2)14-19(18)17-11-8-7-9-12-17/h7-9,11-14,18H,4-6,10H2,1-3H3
InChIKey
IAAASXBHFUJLHW-UHFFFAOYSA-N
Compound name
3,5-diethyl-1-phenyl-2-propyl-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

476
Patents

255.1987 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20598 163.2
[M+Na]+ 278.18792 170.0
[M-H]- 254.19142 168.1
[M+NH4]+ 273.23252 179.3
[M+K]+ 294.16186 165.1
[M+H-H2O]+ 238.19596 154.8
[M+HCOO]- 300.19690 183.5
[M+CH3COO]- 314.21255 200.4
[M+Na-2H]- 276.17337 166.0
[M]+ 255.19815 163.9
[M]- 255.19925 163.9
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