CID 2384587

3-ethyl-2-propylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C15H17NO2
SMILES
CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)O
InChI
InChI=1S/C15H17NO2/c1-3-7-12-10(4-2)14(15(17)18)11-8-5-6-9-13(11)16-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKey
UVUBXMWGFOOGNP-UHFFFAOYSA-N
Compound name
3-ethyl-2-propylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

243.12593 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.133206 155.7
[M+Na]+ 266.115148 164.3
[M-H]- 242.118654 157.8
[M+NH4]+ 261.159753 172.8
[M+K]+ 282.089088 160.1
[M+H-H2O]+ 226.123190 148.8
[M+HCOO]- 288.124131 174.9
[M+CH3COO]- 302.139781 194.4
[M+Na-2H]- 264.100596 160.2
[M]+ 243.12538142 157.9
[M]- 243.12647858 157.9
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