CID 7131550

2-chloro-n-cyclopropylquinoline-4-carboxamide

Structural Information

Molecular Formula
C13H11ClN2O
SMILES
C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)Cl
InChI
InChI=1S/C13H11ClN2O/c14-12-7-10(13(17)15-8-5-6-8)9-3-1-2-4-11(9)16-12/h1-4,7-8H,5-6H2,(H,15,17)
InChIKey
ISHDXJSQWOQIHZ-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclopropylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

246.05598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.063256 151.7
[M+Na]+ 269.045198 162.2
[M-H]- 245.048704 158.4
[M+NH4]+ 264.089803 164.6
[M+K]+ 285.019138 156.1
[M+H-H2O]+ 229.053240 144.6
[M+HCOO]- 291.054181 170.0
[M+CH3COO]- 305.069831 163.8
[M+Na-2H]- 267.030646 158.5
[M]+ 246.05543142 155.4
[M]- 246.05652858 155.4
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