CID 168294314

Chembl5207235

Structural Information

Molecular Formula
C21H20N2O
SMILES
CN1C=CC2=C3C=CC(=CC3=NC(=C21)CCC4=CC=CC=C4)OC
InChI
InChI=1S/C21H20N2O/c1-23-13-12-18-17-10-9-16(24-2)14-20(17)22-19(21(18)23)11-8-15-6-4-3-5-7-15/h3-7,9-10,12-14H,8,11H2,1-2H3
InChIKey
KILGMIUFNPQSPL-UHFFFAOYSA-N
Compound name
7-methoxy-3-methyl-4-(2-phenylethyl)pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.15756 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16484 177.3
[M+Na]+ 339.14678 188.0
[M-H]- 315.15028 183.8
[M+NH4]+ 334.19138 193.2
[M+K]+ 355.12072 181.1
[M+H-H2O]+ 299.15482 167.5
[M+HCOO]- 361.15576 198.3
[M+CH3COO]- 375.17141 189.0
[M+Na-2H]- 337.13223 182.3
[M]+ 316.15701 182.1
[M]- 316.15811 182.1
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.