CID 1921728

355421-06-6

Structural Information

Molecular Formula
C25H29NO2
SMILES
CCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)C
InChI
InChI=1S/C25H29NO2/c1-4-5-6-7-8-15-28-25(27)22-17-24(20-12-9-18(2)10-13-20)26-23-14-11-19(3)16-21(22)23/h9-14,16-17H,4-8,15H2,1-3H3
InChIKey
PUBUHTIOSULNNM-UHFFFAOYSA-N
Compound name
heptyl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.21982 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22710 196.4
[M+Na]+ 398.20904 203.0
[M-H]- 374.21254 201.9
[M+NH4]+ 393.25364 208.2
[M+K]+ 414.18298 196.8
[M+H-H2O]+ 358.21708 186.1
[M+HCOO]- 420.21802 214.8
[M+CH3COO]- 434.23367 223.0
[M+Na-2H]- 396.19449 197.4
[M]+ 375.21927 201.2
[M]- 375.22037 201.2
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.