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]+ 329.25874 184.2
[M+Na]+ 351.24068 183.5
[M-H]- 327.24418 191.4
[M+NH4]+ 346.28528 197.5
[M+K]+ 367.21462 180.7
[M+H-H2O]+ 311.24872 174.1
[M+HCOO]- 373.24966 199.6
[M+CH3COO]- 387.26531 214.7
[M+Na-2H]- 349.22613 179.8
[M]+ 328.25091 177.4
[M]- 328.25201 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