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]+ 365.27986 194.8
[M+Na]+ 387.26180 198.0
[M-H]- 363.26530 200.2
[M+NH4]+ 382.30640 208.6
[M+K]+ 403.23574 198.2
[M+H-H2O]+ 347.26984 186.6
[M+HCOO]- 409.27078 216.7
[M+CH3COO]- 423.28643 230.8
[M+Na-2H]- 385.24725 194.2
[M]+ 364.27203 203.2
[M]- 364.27313 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.