CID 145955076

Chembl4169406

Structural Information

Molecular Formula
C18H14N2O
SMILES
COC1=CC2=NC(=C3C(=C2C=C1)C=CN3)C4=CC=CC=C4
InChI
InChI=1S/C18H14N2O/c1-21-13-7-8-14-15-9-10-19-18(15)17(20-16(14)11-13)12-5-3-2-4-6-12/h2-11,19H,1H3
InChIKey
RRJJYKONZLBYKD-UHFFFAOYSA-N
Compound name
7-methoxy-4-phenyl-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.11063 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11791 162.4
[M+Na]+ 297.09985 173.2
[M-H]- 273.10335 167.8
[M+NH4]+ 292.14445 179.1
[M+K]+ 313.07379 166.2
[M+H-H2O]+ 257.10789 153.5
[M+HCOO]- 319.10883 183.1
[M+CH3COO]- 333.12448 174.6
[M+Na-2H]- 295.08530 169.7
[M]+ 274.11008 164.2
[M]- 274.11118 164.2
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.