CID 3062995

99633-73-5

Structural Information

Molecular Formula
C20H25N3O
SMILES
CN1CC(C2=C(C1)C(=CC=C2)NC(=O)CN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C20H25N3O/c1-22(2)14-20(24)21-19-11-7-10-16-17(12-23(3)13-18(16)19)15-8-5-4-6-9-15/h4-11,17H,12-14H2,1-3H3,(H,21,24)
InChIKey
WUHHQGDYTDMFAK-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 178.9
[M+Na]+ 346.18899 183.3
[M-H]- 322.19249 185.5
[M+NH4]+ 341.23359 192.5
[M+K]+ 362.16293 179.4
[M+H-H2O]+ 306.19703 169.0
[M+HCOO]- 368.19797 198.7
[M+CH3COO]- 382.21362 219.1
[M+Na-2H]- 344.17444 181.9
[M]+ 323.19922 177.4
[M]- 323.20032 177.4
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.