CID 1907574

355421-07-7

Structural Information

Molecular Formula
C26H31NO2
SMILES
CCCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)C
InChI
InChI=1S/C26H31NO2/c1-4-5-6-7-8-9-16-29-26(28)23-18-25(21-13-10-19(2)11-14-21)27-24-15-12-20(3)17-22(23)24/h10-15,17-18H,4-9,16H2,1-3H3
InChIKey
CZYMPHOGNGOIKL-UHFFFAOYSA-N
Compound name
octyl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.23547 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.24275 201.0
[M+Na]+ 412.22469 207.1
[M-H]- 388.22819 206.2
[M+NH4]+ 407.26929 212.2
[M+K]+ 428.19863 200.7
[M+H-H2O]+ 372.23273 190.4
[M+HCOO]- 434.23367 219.0
[M+CH3COO]- 448.24932 226.0
[M+Na-2H]- 410.21014 201.4
[M]+ 389.23492 206.1
[M]- 389.23602 206.1
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.