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]+ 365.27986 193.3
[M+Na]+ 387.26180 196.1
[M-H]- 363.26530 198.9
[M+NH4]+ 382.30640 207.0
[M+K]+ 403.23574 197.5
[M+H-H2O]+ 347.26984 185.6
[M+HCOO]- 409.27078 213.3
[M+CH3COO]- 423.28643 232.6
[M+Na-2H]- 385.24725 190.5
[M]+ 364.27203 200.5
[M]- 364.27313 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.