CID 3088511

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

Structural Information

Molecular Formula
C21H36N2O3
SMILES
CCCN(CCC)CCOC1=C(C=CC(=C1)OC(=O)N(C)C)C(C)(C)C
InChI
InChI=1S/C21H36N2O3/c1-8-12-23(13-9-2)14-15-25-19-16-17(26-20(24)22(6)7)10-11-18(19)21(3,4)5/h10-11,16H,8-9,12-15H2,1-7H3
InChIKey
VTXTWVQRPXRKJB-UHFFFAOYSA-N
Compound name
[4-tert-butyl-3-[2-(dipropylamino)ethoxy]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.27258 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.279856 194.8
[M+Na]+ 387.261798 198.0
[M-H]- 363.265304 200.2
[M+NH4]+ 382.306403 208.6
[M+K]+ 403.235738 198.2
[M+H-H2O]+ 347.269840 186.6
[M+HCOO]- 409.270781 216.7
[M+CH3COO]- 423.286431 230.8
[M+Na-2H]- 385.247246 194.2
[M]+ 364.27203142 203.2
[M]- 364.27312858 203.2
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.