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]+ 287.13902 166.1
[M+Na]+ 309.12096 172.6
[M-H]- 285.12446 168.4
[M+NH4]+ 304.16556 180.3
[M+K]+ 325.09490 167.8
[M+H-H2O]+ 269.12900 158.2
[M+HCOO]- 331.12994 180.7
[M+CH3COO]- 345.14559 196.0
[M+Na-2H]- 307.10641 166.2
[M]+ 286.13119 162.7
[M]- 286.13229 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.