CID 118703

34562-31-7

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

461
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 164.2
[M+Na]+ 278.18792 179.4
[M+NH4]+ 273.23252 173.4
[M+K]+ 294.16186 169.7
[M-H]- 254.19142 169.4
[M+Na-2H]- 276.17337 172.9
[M]+ 255.19815 168.1
[M]- 255.19925 168.1
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