CID 3043479

M 17

Structural Information

Molecular Formula
C22H27ClN2O2
SMILES
CC1=CC=CC=C1N(CCOC2=CC=C(C=C2)Cl)C(=O)CN3CCCCC3
InChI
InChI=1S/C22H27ClN2O2/c1-18-7-3-4-8-21(18)25(22(26)17-24-13-5-2-6-14-24)15-16-27-20-11-9-19(23)10-12-20/h3-4,7-12H,2,5-6,13-17H2,1H3
InChIKey
CAVZVHPZXATAEH-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenoxy)ethyl]-N-(2-methylphenyl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.17612 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18340 194.0
[M+Na]+ 409.16534 196.9
[M-H]- 385.16884 201.6
[M+NH4]+ 404.20994 204.3
[M+K]+ 425.13928 191.7
[M+H-H2O]+ 369.17338 183.2
[M+HCOO]- 431.17432 207.7
[M+CH3COO]- 445.18997 222.9
[M+Na-2H]- 407.15079 193.8
[M]+ 386.17557 194.4
[M]- 386.17667 194.4
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

No patent data available for this compound.