CID 203527

1-piperidineacetanilide, 3'-((p-methylbenzyl)oxy)-, monohydrochloride

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CC1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=O)CN3CCCCC3
InChI
InChI=1S/C21H26N2O2/c1-17-8-10-18(11-9-17)16-25-20-7-5-6-19(14-20)22-21(24)15-23-12-3-2-4-13-23/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,22,24)
InChIKey
XQVRRBQOCGSRLH-UHFFFAOYSA-N
Compound name
N-[3-[(4-methylphenyl)methoxy]phenyl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 182.8
[M+Na]+ 361.18865 185.3
[M-H]- 337.19215 189.5
[M+NH4]+ 356.23325 193.6
[M+K]+ 377.16259 180.6
[M+H-H2O]+ 321.19669 172.0
[M+HCOO]- 383.19763 201.0
[M+CH3COO]- 397.21328 213.2
[M+Na-2H]- 359.17410 184.5
[M]+ 338.19888 179.2
[M]- 338.19998 179.2
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.