CID 423299

Nsc152548

Structural Information

Molecular Formula
C23H24N2O4
SMILES
C1CN(C(C(C1CC(=O)O)O)CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H24N2O4/c26-21(27)13-16-10-11-25(23(29)15-6-2-1-3-7-15)20(22(16)28)12-17-14-24-19-9-5-4-8-18(17)19/h1-9,14,16,20,22,24,28H,10-13H2,(H,26,27)
InChIKey
KQHASOHAMJBGGH-UHFFFAOYSA-N
Compound name
2-[1-benzoyl-3-hydroxy-2-(1H-indol-3-ylmethyl)piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1736 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18088 193.5
[M+Na]+ 415.16282 198.0
[M-H]- 391.16632 197.3
[M+NH4]+ 410.20742 202.0
[M+K]+ 431.13676 191.4
[M+H-H2O]+ 375.17086 183.9
[M+HCOO]- 437.17180 205.5
[M+CH3COO]- 451.18745 200.5
[M+Na-2H]- 413.14827 191.3
[M]+ 392.17305 189.8
[M]- 392.17415 189.8
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.