CID 3766587

355421-18-0

Structural Information

Molecular Formula
C25H29NO3
SMILES
CCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H29NO3/c1-4-5-6-7-8-15-29-25(27)22-17-24(19-10-12-20(28-3)13-11-19)26-23-14-9-18(2)16-21(22)23/h9-14,16-17H,4-8,15H2,1-3H3
InChIKey
WDZLVHIBMTUNIE-UHFFFAOYSA-N
Compound name
heptyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.21475 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.22203 199.7
[M+Na]+ 414.20397 206.0
[M-H]- 390.20747 205.1
[M+NH4]+ 409.24857 210.7
[M+K]+ 430.17791 200.6
[M+H-H2O]+ 374.21201 189.0
[M+HCOO]- 436.21295 218.2
[M+CH3COO]- 450.22860 225.1
[M+Na-2H]- 412.18942 200.7
[M]+ 391.21420 205.8
[M]- 391.21530 205.8
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.