CID 478774

5-ethyl-7-pyridin-4-yl-2,5-dihydro-pyrrolo[3,2-c]quinolin-3-one

Structural Information

Molecular Formula
C18H15N3O
SMILES
CCN1C=C2C(=O)CN=C2C3=C1C=C(C=C3)C4=CC=NC=C4
InChI
InChI=1S/C18H15N3O/c1-2-21-11-15-17(22)10-20-18(15)14-4-3-13(9-16(14)21)12-5-7-19-8-6-12/h3-9,11H,2,10H2,1H3
InChIKey
WPLADXYEUFHMCA-UHFFFAOYSA-N
Compound name
5-ethyl-7-pyridin-4-yl-2H-pyrrolo[3,2-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.12152 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12880 169.0
[M+Na]+ 312.11074 179.4
[M-H]- 288.11424 173.9
[M+NH4]+ 307.15534 184.4
[M+K]+ 328.08468 172.7
[M+H-H2O]+ 272.11878 158.9
[M+HCOO]- 334.11972 187.1
[M+CH3COO]- 348.13537 180.3
[M+Na-2H]- 310.09619 173.7
[M]+ 289.12097 169.9
[M]- 289.12207 169.9
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.