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]+ 288.13426 165.5
[M+Na]+ 310.11620 169.3
[M-H]- 286.11970 166.3
[M+NH4]+ 305.16080 176.9
[M+K]+ 326.09014 163.9
[M+H-H2O]+ 270.12424 156.6
[M+HCOO]- 332.12518 177.5
[M+CH3COO]- 346.14083 198.1
[M+Na-2H]- 308.10165 167.7
[M]+ 287.12643 155.9
[M]- 287.12753 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