CID 3278042

355421-17-9

Structural Information

Molecular Formula
C23H25NO3
SMILES
CCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H25NO3/c1-4-5-6-13-27-23(25)20-15-22(17-8-10-18(26-3)11-9-17)24-21-12-7-16(2)14-19(20)21/h7-12,14-15H,4-6,13H2,1-3H3
InChIKey
OSWJTHJTZDJLOK-UHFFFAOYSA-N
Compound name
pentyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.190716 190.4
[M+Na]+ 386.172658 197.7
[M-H]- 362.176164 196.3
[M+NH4]+ 381.217263 202.7
[M+K]+ 402.146598 192.8
[M+H-H2O]+ 346.180700 180.3
[M+HCOO]- 408.181641 209.7
[M+CH3COO]- 422.197291 219.3
[M+Na-2H]- 384.158106 192.6
[M]+ 363.18289142 196.0
[M]- 363.18398858 196.0
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.