CID 213633

Benzoic acid, 2-(((4-(2-(1h-indol-3-yl)ethyl)-4-piperidinyl)amino)carbonyl)-, hydrate

Structural Information

Molecular Formula
C23H25N3O3
SMILES
C1CN(CCC1NC(=O)C2=CC=CC=C2C(=O)O)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H25N3O3/c27-22(19-6-1-2-7-20(19)23(28)29)25-17-10-13-26(14-11-17)12-9-16-15-24-21-8-4-3-5-18(16)21/h1-8,15,17,24H,9-14H2,(H,25,27)(H,28,29)
InChIKey
JLACVOYZEGGBHH-UHFFFAOYSA-N
Compound name
2-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

391.1896 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 195.0
[M+Na]+ 414.17882 206.3
[M+NH4]+ 409.22342 200.7
[M+K]+ 430.15276 201.5
[M-H]- 390.18232 198.9
[M+Na-2H]- 412.16427 200.9
[M]+ 391.18905 197.3
[M]- 391.19015 197.3
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