CID 137526050

(4s)-n-[(3s)-2,6-dioxopiperidin-3-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide

Structural Information

Molecular Formula
C15H17N3O3
SMILES
C1CC(=O)NC(=O)[C@H]1NC(=O)[C@H]2CCNC3=CC=CC=C23
InChI
InChI=1S/C15H17N3O3/c19-13-6-5-12(15(21)18-13)17-14(20)10-7-8-16-11-4-2-1-3-9(10)11/h1-4,10,12,16H,5-8H2,(H,17,20)(H,18,19,21)/t10-,12-/m0/s1
InChIKey
CTVJOMHYRHQHLU-JQWIXIFHSA-N
Compound name
(4S)-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

287.12698 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.134256 165.5
[M+Na]+ 310.116198 169.3
[M-H]- 286.119704 166.3
[M+NH4]+ 305.160803 176.9
[M+K]+ 326.090138 163.9
[M+H-H2O]+ 270.124240 156.6
[M+HCOO]- 332.125181 177.5
[M+CH3COO]- 346.140831 198.1
[M+Na-2H]- 308.101646 167.7
[M]+ 287.12643142 155.9
[M]- 287.12752858 155.9
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

patents stripe