CID 3078422

3,4-dihydro-3,3-dimethyl-alpha-(phenylmethyl)-1-isoquinolineacetamide hydrochloride

Structural Information

Molecular Formula
C20H22N2O
SMILES
CC1(CC2=CC=CC=C2C(=N1)C(CC3=CC=CC=C3)C(=O)N)C
InChI
InChI=1S/C20H22N2O/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)17(19(21)23)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H2,21,23)
InChIKey
TXRJSAMIVNOIIW-UHFFFAOYSA-N
Compound name
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

306.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 175.4
[M+Na]+ 329.16244 181.4
[M-H]- 305.16594 180.6
[M+NH4]+ 324.20704 190.9
[M+K]+ 345.13638 176.3
[M+H-H2O]+ 289.17048 166.4
[M+HCOO]- 351.17142 193.5
[M+CH3COO]- 365.18707 209.7
[M+Na-2H]- 327.14789 179.0
[M]+ 306.17267 173.2
[M]- 306.17377 173.2
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

No patent data available for this compound.