CID 392294

Nsc692427

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CCOC(=O)C1(C(CCCN1C(=O)C)O)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C19H24N2O4/c1-3-25-18(24)19(17(23)9-6-10-21(19)13(2)22)11-14-12-20-16-8-5-4-7-15(14)16/h4-5,7-8,12,17,20,23H,3,6,9-11H2,1-2H3
InChIKey
PBCTUFWZRPYFQI-UHFFFAOYSA-N
Compound name
ethyl 1-acetyl-3-hydroxy-2-(1H-indol-3-ylmethyl)piperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1736 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 182.3
[M+Na]+ 367.16282 188.4
[M-H]- 343.16632 184.4
[M+NH4]+ 362.20742 196.2
[M+K]+ 383.13676 183.9
[M+H-H2O]+ 327.17086 174.4
[M+HCOO]- 389.17180 196.1
[M+CH3COO]- 403.18745 206.0
[M+Na-2H]- 365.14827 182.2
[M]+ 344.17305 181.7
[M]- 344.17415 181.7
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.