CID 168292289

Chembl5201012

Structural Information

Molecular Formula
C20H26N2
SMILES
CCCCCCCCC1=C2C(=C3C=CC(=CC3=N1)C)C=CN2
InChI
InChI=1S/C20H26N2/c1-3-4-5-6-7-8-9-18-20-17(12-13-21-20)16-11-10-15(2)14-19(16)22-18/h10-14,21H,3-9H2,1-2H3
InChIKey
WSBUQXCLLDAQFD-UHFFFAOYSA-N
Compound name
7-methyl-4-octyl-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.2096 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 174.7
[M+Na]+ 317.19882 183.5
[M-H]- 293.20232 175.9
[M+NH4]+ 312.24342 191.4
[M+K]+ 333.17276 176.0
[M+H-H2O]+ 277.20686 166.3
[M+HCOO]- 339.20780 193.3
[M+CH3COO]- 353.22345 185.2
[M+Na-2H]- 315.18427 178.6
[M]+ 294.20905 178.4
[M]- 294.21015 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.