CID 45051169

853319-15-0

Structural Information

Molecular Formula
C17H17ClN2O
SMILES
CC1=C(C=C(C=C1)NC(=O)N2CCCC3=CC=CC=C32)Cl
InChI
InChI=1S/C17H17ClN2O/c1-12-8-9-14(11-15(12)18)19-17(21)20-10-4-6-13-5-2-3-7-16(13)20/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,21)
InChIKey
ZSPBOPUKRXELMU-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.10294 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.110216 168.9
[M+Na]+ 323.092158 176.4
[M-H]- 299.095664 174.5
[M+NH4]+ 318.136763 184.3
[M+K]+ 339.066098 170.1
[M+H-H2O]+ 283.100200 160.7
[M+HCOO]- 345.101141 183.7
[M+CH3COO]- 359.116791 179.6
[M+Na-2H]- 321.077606 173.1
[M]+ 300.10239142 168.1
[M]- 300.10348858 168.1
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.