CID 3088533

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

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CC(C)(C)C1=CC(=CC(=C1)OC(=O)N(C)C)OCCN2CCCC2
InChI
InChI=1S/C19H30N2O3/c1-19(2,3)15-12-16(23-11-10-21-8-6-7-9-21)14-17(13-15)24-18(22)20(4)5/h12-14H,6-11H2,1-5H3
InChIKey
FMKDLLJRYDLARG-UHFFFAOYSA-N
Compound name
[3-tert-butyl-5-(2-pyrrolidin-1-ylethoxy)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 183.6
[M+Na]+ 357.21487 187.3
[M-H]- 333.21837 189.6
[M+NH4]+ 352.25947 198.2
[M+K]+ 373.18881 186.3
[M+H-H2O]+ 317.22291 175.4
[M+HCOO]- 379.22385 202.7
[M+CH3COO]- 393.23950 215.3
[M+Na-2H]- 355.20032 182.9
[M]+ 334.22510 186.5
[M]- 334.22620 186.5
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.