CID 23735098

853319-16-1

Structural Information

Molecular Formula
C17H17ClN2O
SMILES
CC1=C(C=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2)Cl
InChI
InChI=1S/C17H17ClN2O/c1-12-6-7-15(10-16(12)18)19-17(21)20-9-8-13-4-2-3-5-14(13)11-20/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKey
QEZDRIGBQDNLKO-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.10294 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11022 168.6
[M+Na]+ 323.09216 183.9
[M+NH4]+ 318.13676 178.0
[M+K]+ 339.06610 174.8
[M-H]- 299.09566 174.2
[M+Na-2H]- 321.07761 177.0
[M]+ 300.10239 172.8
[M]- 300.10349 172.8
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.