CID 215438

Butanamide, n-(1-(2-(2-methyl-1h-indol-3-yl)ethyl)-4-piperidinyl)-, hydrate

Structural Information

Molecular Formula
C20H29N3O
SMILES
CCCC(=O)NC1CCN(CC1)CCC2=C(NC3=CC=CC=C32)C
InChI
InChI=1S/C20H29N3O/c1-3-6-20(24)22-16-9-12-23(13-10-16)14-11-17-15(2)21-19-8-5-4-7-18(17)19/h4-5,7-8,16,21H,3,6,9-14H2,1-2H3,(H,22,24)
InChIKey
WAUQMOYSUVYTSQ-UHFFFAOYSA-N
Compound name
N-[1-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-4-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.23105 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.23833 182.0
[M+Na]+ 350.22027 186.6
[M-H]- 326.22377 184.7
[M+NH4]+ 345.26487 195.2
[M+K]+ 366.19421 180.4
[M+H-H2O]+ 310.22831 172.7
[M+HCOO]- 372.22925 198.3
[M+CH3COO]- 386.24490 210.8
[M+Na-2H]- 348.20572 182.0
[M]+ 327.23050 179.5
[M]- 327.23160 179.5
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.