CID 199597

Alpha-(2-(methylphenethylamino)ethyl)-alpha-phenyl-2-pyridinemethanol oxalate

Structural Information

Molecular Formula
C23H26N2O
SMILES
CN(CCC1=CC=CC=C1)CCC(C2=CC=CC=C2)(C3=CC=CC=N3)O
InChI
InChI=1S/C23H26N2O/c1-25(18-15-20-10-4-2-5-11-20)19-16-23(26,21-12-6-3-7-13-21)22-14-8-9-17-24-22/h2-14,17,26H,15-16,18-19H2,1H3
InChIKey
NBUSUGXLOYJUGZ-UHFFFAOYSA-N
Compound name
3-[methyl(2-phenylethyl)amino]-1-phenyl-1-pyridin-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21178 185.7
[M+Na]+ 369.19372 188.7
[M-H]- 345.19722 192.6
[M+NH4]+ 364.23832 195.9
[M+K]+ 385.16766 183.3
[M+H-H2O]+ 329.20176 174.9
[M+HCOO]- 391.20270 205.4
[M+CH3COO]- 405.21835 215.5
[M+Na-2H]- 367.17917 191.6
[M]+ 346.20395 185.1
[M]- 346.20505 185.1
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.