CID 120640

Phenatine

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC(CC1=CC=CC=C1)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C15H16N2O/c1-12(10-13-6-3-2-4-7-13)17-15(18)14-8-5-9-16-11-14/h2-9,11-12H,10H2,1H3,(H,17,18)
InChIKey
KJRJJAZBUWXZFN-UHFFFAOYSA-N
Compound name
N-(1-phenylpropan-2-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

38
Patents

240.12627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 156.4
[M+Na]+ 263.11549 169.6
[M+NH4]+ 258.16009 164.5
[M+K]+ 279.08943 162.2
[M-H]- 239.11899 160.7
[M+Na-2H]- 261.10094 165.9
[M]+ 240.12572 159.5
[M]- 240.12682 159.5
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