CID 3066896

1-piperidineacetamide, n-(1-(4-cyclopentylphenyl)ethyl)-n-methyl-, (z)-2-butenedioate, hydrate (2:2:1)

Structural Information

Molecular Formula
C21H32N2O
SMILES
CC(C1=CC=C(C=C1)C2CCCC2)N(C)C(=O)CN3CCCCC3
InChI
InChI=1S/C21H32N2O/c1-17(22(2)21(24)16-23-14-6-3-7-15-23)18-10-12-20(13-11-18)19-8-4-5-9-19/h10-13,17,19H,3-9,14-16H2,1-2H3
InChIKey
QDSLHMSMMBSBBA-UHFFFAOYSA-N
Compound name
N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.25146 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.258736 184.2
[M+Na]+ 351.240678 183.5
[M-H]- 327.244184 191.4
[M+NH4]+ 346.285283 197.5
[M+K]+ 367.214618 180.7
[M+H-H2O]+ 311.248720 174.1
[M+HCOO]- 373.249661 199.6
[M+CH3COO]- 387.265311 214.7
[M+Na-2H]- 349.226126 179.8
[M]+ 328.25091142 177.4
[M]- 328.25200858 177.4
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