CID 464264

2-pyridinone deriv. 15

Structural Information

Molecular Formula
C18H17N3O3
SMILES
C1CCC2=C(C1)C=C(C(=O)N2)NCN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H17N3O3/c22-16-15(9-11-5-1-4-8-14(11)20-16)19-10-21-17(23)12-6-2-3-7-13(12)18(21)24/h2-3,6-7,9,19H,1,4-5,8,10H2,(H,20,22)
InChIKey
IEGVPFDFIKROMR-UHFFFAOYSA-N
Compound name
2-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.12698 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.134256 173.1
[M+Na]+ 346.116198 181.1
[M-H]- 322.119704 177.7
[M+NH4]+ 341.160803 187.2
[M+K]+ 362.090138 174.5
[M+H-H2O]+ 306.124240 164.2
[M+HCOO]- 368.125181 189.9
[M+CH3COO]- 382.140831 183.0
[M+Na-2H]- 344.101646 176.0
[M]+ 323.12643142 170.2
[M]- 323.12752858 170.2
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.