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]+ 324.13426 173.1
[M+Na]+ 346.11620 181.1
[M-H]- 322.11970 177.7
[M+NH4]+ 341.16080 187.2
[M+K]+ 362.09014 174.5
[M+H-H2O]+ 306.12424 164.2
[M+HCOO]- 368.12518 189.9
[M+CH3COO]- 382.14083 183.0
[M+Na-2H]- 344.10165 176.0
[M]+ 323.12643 170.2
[M]- 323.12753 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.