CID 3834838

355421-25-9

Structural Information

Molecular Formula
C23H25NO3
SMILES
CCCCCOC(=O)C1=CC(=NC2=C(C=CC=C12)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H25NO3/c1-4-5-6-14-27-23(25)20-15-21(17-10-12-18(26-3)13-11-17)24-22-16(2)8-7-9-19(20)22/h7-13,15H,4-6,14H2,1-3H3
InChIKey
KHGUVUZBLZJZBG-UHFFFAOYSA-N
Compound name
pentyl 2-(4-methoxyphenyl)-8-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]+ 364.19072 190.4
[M+Na]+ 386.17266 197.7
[M-H]- 362.17616 196.3
[M+NH4]+ 381.21726 202.7
[M+K]+ 402.14660 192.8
[M+H-H2O]+ 346.18070 180.3
[M+HCOO]- 408.18164 209.7
[M+CH3COO]- 422.19729 219.3
[M+Na-2H]- 384.15811 192.6
[M]+ 363.18289 196.0
[M]- 363.18399 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.