CID 24832260

91454-41-0

Structural Information

Molecular Formula
C20H24ClN3O
SMILES
CCNCC(=O)NC1=CC=CC2=C1CN(CC2C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C20H24ClN3O/c1-3-22-11-20(25)23-19-6-4-5-16-17(12-24(2)13-18(16)19)14-7-9-15(21)10-8-14/h4-10,17,22H,3,11-13H2,1-2H3,(H,23,25)
InChIKey
XRIHXUYKZGXHML-UHFFFAOYSA-N
Compound name
N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

357.1608 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16808 186.4
[M+Na]+ 380.15002 192.4
[M-H]- 356.15352 191.6
[M+NH4]+ 375.19462 199.2
[M+K]+ 396.12396 185.6
[M+H-H2O]+ 340.15806 177.5
[M+HCOO]- 402.15900 201.1
[M+CH3COO]- 416.17465 220.6
[M+Na-2H]- 378.13547 188.8
[M]+ 357.16025 186.5
[M]- 357.16135 186.5
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