CID 39064

41958-64-9

Structural Information

Molecular Formula
C19H22N2O
SMILES
C[C@H]1C(C2=CC=CC=C2CN1CCC(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c1-14-19(15-7-3-2-4-8-15)17-10-6-5-9-16(17)13-21(14)12-11-18(20)22/h2-10,14,19H,11-13H2,1H3,(H2,20,22)/t14-,19?/m0/s1
InChIKey
QCBAWWZFXVCCLL-KTQQKIMGSA-N
Compound name
3-[(3S)-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 171.7
[M+Na]+ 317.16244 185.4
[M+NH4]+ 312.20704 180.3
[M+K]+ 333.13638 176.9
[M-H]- 293.16594 177.0
[M+Na-2H]- 315.14789 179.0
[M]+ 294.17267 175.1
[M]- 294.17377 175.1
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.