CID 594820

N-(3-chlorophenyl)-3,4-dihydro-2(1h)-isoquinolinecarboxamide

Structural Information

Molecular Formula
C16H15ClN2O
SMILES
C1CN(CC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H15ClN2O/c17-14-6-3-7-15(10-14)18-16(20)19-9-8-12-4-1-2-5-13(12)11-19/h1-7,10H,8-9,11H2,(H,18,20)
InChIKey
JGPNTZICCWADOL-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

286.08728 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09456 163.9
[M+Na]+ 309.07650 170.9
[M-H]- 285.08000 169.3
[M+NH4]+ 304.12110 179.5
[M+K]+ 325.05044 164.7
[M+H-H2O]+ 269.08454 155.7
[M+HCOO]- 331.08548 179.0
[M+CH3COO]- 345.10113 174.7
[M+Na-2H]- 307.06195 169.4
[M]+ 286.08673 162.4
[M]- 286.08783 162.4
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