CID 58053

C 2141

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CC1CCCCN1CCOC(=O)N(C)C(C)COC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C21H34N2O3/c1-16-12-17(2)14-20(13-16)26-15-19(4)22(5)21(24)25-11-10-23-9-7-6-8-18(23)3/h12-14,18-19H,6-11,15H2,1-5H3
InChIKey
WLGZWGXSLVEVDY-UHFFFAOYSA-N
Compound name
2-(2-methylpiperidin-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25696 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 192.1
[M+Na]+ 385.24618 194.2
[M-H]- 361.24968 197.2
[M+NH4]+ 380.29078 203.5
[M+K]+ 401.22012 192.8
[M+H-H2O]+ 345.25422 182.4
[M+HCOO]- 407.25516 208.8
[M+CH3COO]- 421.27081 224.2
[M+Na-2H]- 383.23163 188.8
[M]+ 362.25641 193.8
[M]- 362.25751 193.8
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.