CID 886440

N-isopropylquinoline-2-carboxamide

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC(C)NC(=O)C1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H14N2O/c1-9(2)14-13(16)12-8-7-10-5-3-4-6-11(10)15-12/h3-9H,1-2H3,(H,14,16)
InChIKey
MWZFFJAEAZQGLX-UHFFFAOYSA-N
Compound name
N-propan-2-ylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

214.11061 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 147.5
[M+Na]+ 237.09983 154.5
[M-H]- 213.10333 150.6
[M+NH4]+ 232.14443 165.5
[M+K]+ 253.07377 151.5
[M+H-H2O]+ 197.10787 140.1
[M+HCOO]- 259.10881 168.8
[M+CH3COO]- 273.12446 191.6
[M+Na-2H]- 235.08528 154.2
[M]+ 214.11006 147.2
[M]- 214.11116 147.2
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