CID 3078420

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

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC(C)C(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)N
InChI
InChI=1S/C16H22N2O/c1-10(2)13(15(17)19)14-12-8-6-5-7-11(12)9-16(3,4)18-14/h5-8,10,13H,9H2,1-4H3,(H2,17,19)
InChIKey
DHWHZERJGFFUTA-UHFFFAOYSA-N
Compound name
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 162.5
[M+Na]+ 281.16244 168.8
[M-H]- 257.16594 164.9
[M+NH4]+ 276.20704 180.6
[M+K]+ 297.13638 165.9
[M+H-H2O]+ 241.17048 155.8
[M+HCOO]- 303.17142 179.7
[M+CH3COO]- 317.18707 202.7
[M+Na-2H]- 279.14789 164.7
[M]+ 258.17267 161.0
[M]- 258.17377 161.0
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.