CID 3088525

Carbamic acid, dimethyl-, 4-(1,1-dimethylethyl)-3-(3-(1-piperidinyl)propoxy)phenyl ester, monohydrochloride

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CC(C)(C)C1=C(C=C(C=C1)OC(=O)N(C)C)OCCCN2CCCCC2
InChI
InChI=1S/C21H34N2O3/c1-21(2,3)18-11-10-17(26-20(24)22(4)5)16-19(18)25-15-9-14-23-12-7-6-8-13-23/h10-11,16H,6-9,12-15H2,1-5H3
InChIKey
GPDCQGXTEIEGRN-UHFFFAOYSA-N
Compound name
[4-tert-butyl-3-(3-piperidin-1-ylpropoxy)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25696 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 191.9
[M+Na]+ 385.24618 193.9
[M-H]- 361.24968 196.9
[M+NH4]+ 380.29078 203.3
[M+K]+ 401.22012 192.5
[M+H-H2O]+ 345.25422 182.6
[M+HCOO]- 407.25516 208.0
[M+CH3COO]- 421.27081 221.8
[M+Na-2H]- 383.23163 191.5
[M]+ 362.25641 193.3
[M]- 362.25751 193.3
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.