CID 2305179

N-(2-chloroethyl)-2-quinolinecarboxamide

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCCl
InChI
InChI=1S/C12H11ClN2O/c13-7-8-14-12(16)11-6-5-9-3-1-2-4-10(9)15-11/h1-6H,7-8H2,(H,14,16)
InChIKey
MOKRODNPAKJEMT-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

234.05598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.063256 148.7
[M+Na]+ 257.045198 157.2
[M-H]- 233.048704 151.6
[M+NH4]+ 252.089803 166.8
[M+K]+ 273.019138 152.1
[M+H-H2O]+ 217.053240 142.0
[M+HCOO]- 279.054181 166.7
[M+CH3COO]- 293.069831 191.5
[M+Na-2H]- 255.030646 156.6
[M]+ 234.05543142 150.8
[M]- 234.05652858 150.8
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