CID 1921796

355419-79-3

Structural Information

Molecular Formula
C26H31NO3
SMILES
CCCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C26H31NO3/c1-4-5-6-7-8-9-16-30-26(28)23-18-25(20-11-13-21(29-3)14-12-20)27-24-15-10-19(2)17-22(23)24/h10-15,17-18H,4-9,16H2,1-3H3
InChIKey
LONBOUMMZLABER-UHFFFAOYSA-N
Compound name
octyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.2304 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.23768 204.2
[M+Na]+ 428.21962 210.1
[M-H]- 404.22312 209.5
[M+NH4]+ 423.26422 214.6
[M+K]+ 444.19356 204.5
[M+H-H2O]+ 388.22766 193.4
[M+HCOO]- 450.22860 222.4
[M+CH3COO]- 464.24425 228.0
[M+Na-2H]- 426.20507 204.7
[M]+ 405.22985 210.7
[M]- 405.23095 210.7
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.