CID 168287649

Chembl5195814

Structural Information

Molecular Formula
C20H26N2O
SMILES
CCCCCCCCC1=C2C(=C3C=CC(=CC3=N1)OC)C=CN2
InChI
InChI=1S/C20H26N2O/c1-3-4-5-6-7-8-9-18-20-17(12-13-21-20)16-11-10-15(23-2)14-19(16)22-18/h10-14,21H,3-9H2,1-2H3
InChIKey
TUONBNISMJVFEN-UHFFFAOYSA-N
Compound name
7-methoxy-4-octyl-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.2045 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 178.0
[M+Na]+ 333.19372 186.6
[M-H]- 309.19722 179.1
[M+NH4]+ 328.23832 193.8
[M+K]+ 349.16766 179.7
[M+H-H2O]+ 293.20176 169.4
[M+HCOO]- 355.20270 196.6
[M+CH3COO]- 369.21835 207.1
[M+Na-2H]- 331.17917 181.9
[M]+ 310.20395 183.1
[M]- 310.20505 183.1
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.