CID 213637

N-(1-(2-(2-methyl-1h-indol-3-yl)ethyl)-4-piperidinyl)acetamide trihydrate

Structural Information

Molecular Formula
C18H25N3O
SMILES
CC1=C(C2=CC=CC=C2N1)CCN3CCC(CC3)NC(=O)C
InChI
InChI=1S/C18H25N3O/c1-13-16(17-5-3-4-6-18(17)19-13)9-12-21-10-7-15(8-11-21)20-14(2)22/h3-6,15,19H,7-12H2,1-2H3,(H,20,22)
InChIKey
RSRNZJKIJDXTOR-UHFFFAOYSA-N
Compound name
N-[1-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.19977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.207046 173.1
[M+Na]+ 322.188988 178.7
[M-H]- 298.192494 176.2
[M+NH4]+ 317.233593 187.5
[M+K]+ 338.162928 172.9
[M+H-H2O]+ 282.197030 164.2
[M+HCOO]- 344.197971 190.1
[M+CH3COO]- 358.213621 204.9
[M+Na-2H]- 320.174436 174.2
[M]+ 299.19922142 170.0
[M]- 299.20031858 170.0
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