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]+ 376.227096 196.4
[M+Na]+ 398.209038 203.0
[M-H]- 374.212544 201.9
[M+NH4]+ 393.253643 208.2
[M+K]+ 414.182978 196.8
[M+H-H2O]+ 358.217080 186.1
[M+HCOO]- 420.218021 214.8
[M+CH3COO]- 434.233671 223.0
[M+Na-2H]- 396.194486 197.4
[M]+ 375.21927142 201.2
[M]- 375.22036858 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.