CID 3088519

Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(1-piperidinyl)ethoxy)phenyl ester hcl

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CC(C)(C)C1=C(C=C(C=C1)OC(=O)N(C)C)OCCN2CCCCC2
InChI
InChI=1S/C20H32N2O3/c1-20(2,3)17-10-9-16(25-19(23)21(4)5)15-18(17)24-14-13-22-11-7-6-8-12-22/h9-10,15H,6-8,11-14H2,1-5H3
InChIKey
MYIQYIHIRQAERE-UHFFFAOYSA-N
Compound name
[4-tert-butyl-3-(2-piperidin-1-ylethoxy)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2413 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24858 186.3
[M+Na]+ 371.23052 195.6
[M+NH4]+ 366.27512 192.3
[M+K]+ 387.20446 190.3
[M-H]- 347.23402 188.8
[M+Na-2H]- 369.21597 191.1
[M]+ 348.24075 188.1
[M]- 348.24185 188.1
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.