CID 66557780

H1521 cpd

Structural Information

Molecular Formula
C18H23N3O3
SMILES
CCN1CCCC1CC2=C(C(=O)C3=C(N2)C=C(C=C3)OC)C(=O)N
InChI
InChI=1S/C18H23N3O3/c1-3-21-8-4-5-11(21)9-15-16(18(19)23)17(22)13-7-6-12(24-2)10-14(13)20-15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,19,23)(H,20,22)
InChIKey
HRQACYARIZTABB-UHFFFAOYSA-N
Compound name
2-[(1-ethylpyrrolidin-2-yl)methyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.17395 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.181226 178.8
[M+Na]+ 352.163168 186.0
[M-H]- 328.166674 182.2
[M+NH4]+ 347.207773 191.9
[M+K]+ 368.137108 180.7
[M+H-H2O]+ 312.171210 170.3
[M+HCOO]- 374.172151 195.6
[M+CH3COO]- 388.187801 211.3
[M+Na-2H]- 350.148616 177.7
[M]+ 329.17340142 177.8
[M]- 329.17449858 177.8
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.