CID 39062

41958-62-7

Structural Information

Molecular Formula
C19H22N2O
SMILES
C[C@H]1C(C2=C(CN1C)C=CC(=C2)NC(=O)C)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c1-13-19(15-7-5-4-6-8-15)18-11-17(20-14(2)22)10-9-16(18)12-21(13)3/h4-11,13,19H,12H2,1-3H3,(H,20,22)/t13-,19?/m0/s1
InChIKey
UJPROHUFLRCNBI-YTJLLHSVSA-N
Compound name
N-[(3S)-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 171.3
[M+Na]+ 317.16244 177.9
[M-H]- 293.16594 177.2
[M+NH4]+ 312.20704 186.2
[M+K]+ 333.13638 172.8
[M+H-H2O]+ 277.17048 162.3
[M+HCOO]- 339.17142 189.9
[M+CH3COO]- 353.18707 209.0
[M+Na-2H]- 315.14789 174.2
[M]+ 294.17267 169.3
[M]- 294.17377 169.3
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.