CID 24832262

91454-23-8

Structural Information

Molecular Formula
C20H25N3O
SMILES
CCNCC(=O)NC1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C
InChI
InChI=1S/C20H25N3O/c1-3-21-12-20(24)22-19-11-7-10-16-17(13-23(2)14-18(16)19)15-8-5-4-6-9-15/h4-11,17,21H,3,12-14H2,1-2H3,(H,22,24)
InChIKey
ZHOUQFXQGZXTBY-UHFFFAOYSA-N
Compound name
2-(ethylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

323.19977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 178.4
[M+Na]+ 346.18899 182.7
[M-H]- 322.19249 183.6
[M+NH4]+ 341.23359 191.4
[M+K]+ 362.16293 177.4
[M+H-H2O]+ 306.19703 168.7
[M+HCOO]- 368.19797 197.7
[M+CH3COO]- 382.21362 215.8
[M+Na-2H]- 344.17444 182.2
[M]+ 323.19922 175.7
[M]- 323.20032 175.7
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

patents stripe