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

1
Patents

299.19977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20705 173.1
[M+Na]+ 322.18899 178.7
[M-H]- 298.19249 176.2
[M+NH4]+ 317.23359 187.5
[M+K]+ 338.16293 172.9
[M+H-H2O]+ 282.19703 164.2
[M+HCOO]- 344.19797 190.1
[M+CH3COO]- 358.21362 204.9
[M+Na-2H]- 320.17444 174.2
[M]+ 299.19922 170.0
[M]- 299.20032 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