CID 3054776

71765-53-2

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)N3CCCC(C3)O
InChI
InChI=1S/C16H18N2O3/c1-10-14(12-6-2-3-7-13(12)17-10)15(20)16(21)18-8-4-5-11(19)9-18/h2-3,6-7,11,17,19H,4-5,8-9H2,1H3
InChIKey
AKZUQDSKOCTLET-UHFFFAOYSA-N
Compound name
1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 166.1
[M+Na]+ 309.120958 172.6
[M-H]- 285.124464 168.4
[M+NH4]+ 304.165563 180.3
[M+K]+ 325.094898 167.8
[M+H-H2O]+ 269.129000 158.2
[M+HCOO]- 331.129941 180.7
[M+CH3COO]- 345.145591 196.0
[M+Na-2H]- 307.106406 166.2
[M]+ 286.13119142 162.7
[M]- 286.13228858 162.7
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.