CID 3088517

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

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CC(C)(C)C1=C(C=C(C=C1)OC(=O)N(C)C)OCCN2CCCC2
InChI
InChI=1S/C19H30N2O3/c1-19(2,3)16-9-8-15(24-18(22)20(4)5)14-17(16)23-13-12-21-10-6-7-11-21/h8-9,14H,6-7,10-13H2,1-5H3
InChIKey
GPJCUTCKCFKBKS-UHFFFAOYSA-N
Compound name
[4-tert-butyl-3-(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]+ 335.232926 183.6
[M+Na]+ 357.214868 187.3
[M-H]- 333.218374 189.6
[M+NH4]+ 352.259473 198.2
[M+K]+ 373.188808 186.3
[M+H-H2O]+ 317.222910 175.4
[M+HCOO]- 379.223851 202.7
[M+CH3COO]- 393.239501 215.3
[M+Na-2H]- 355.200316 182.9
[M]+ 334.22510142 186.5
[M]- 334.22619858 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.