CID 3088535

Carbamic acid, dimethyl-, 5-(1,1-dimethylethyl)-3-(2-(1-piperidinyl)ethoxy)phenyl ester, monohydrochloride

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CC(C)(C)C1=CC(=CC(=C1)OC(=O)N(C)C)OCCN2CCCCC2
InChI
InChI=1S/C20H32N2O3/c1-20(2,3)16-13-17(15-18(14-16)25-19(23)21(4)5)24-12-11-22-9-7-6-8-10-22/h13-15H,6-12H2,1-5H3
InChIKey
VDWGUEHODRVWIR-UHFFFAOYSA-N
Compound name
[3-tert-butyl-5-(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]+ 349.248576 187.4
[M+Na]+ 371.230518 189.8
[M-H]- 347.234024 192.6
[M+NH4]+ 366.275123 199.4
[M+K]+ 387.204458 188.6
[M+H-H2O]+ 331.238560 178.2
[M+HCOO]- 393.239501 203.9
[M+CH3COO]- 407.255151 218.9
[M+Na-2H]- 369.215966 187.5
[M]+ 348.24075142 188.4
[M]- 348.24184858 188.4
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.