CID 3088513

118116-07-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.27258 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.279856 193.3
[M+Na]+ 387.261798 196.1
[M-H]- 363.265304 198.9
[M+NH4]+ 382.306403 207.0
[M+K]+ 403.235738 197.5
[M+H-H2O]+ 347.269840 185.6
[M+HCOO]- 409.270781 213.3
[M+CH3COO]- 423.286431 232.6
[M+Na-2H]- 385.247246 190.5
[M]+ 364.27203142 200.5
[M]- 364.27312858 200.5
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.