CID 3088531

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

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CC(C)(C)C1=CC(=CC(=C1)OC(=O)N(C)C)OCCN(C)C
InChI
InChI=1S/C17H28N2O3/c1-17(2,3)13-10-14(21-9-8-18(4)5)12-15(11-13)22-16(20)19(6)7/h10-12H,8-9H2,1-7H3
InChIKey
CSWYIYINSNLDLN-UHFFFAOYSA-N
Compound name
[3-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.21 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.21728 176.0
[M+Na]+ 331.19922 181.0
[M-H]- 307.20272 182.2
[M+NH4]+ 326.24382 192.2
[M+K]+ 347.17316 182.1
[M+H-H2O]+ 291.20726 168.6
[M+HCOO]- 353.20820 199.4
[M+CH3COO]- 367.22385 219.0
[M+Na-2H]- 329.18467 177.5
[M]+ 308.20945 183.0
[M]- 308.21055 183.0
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.