CID 3088509

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

Structural Information

Molecular Formula
C19H32N2O3
SMILES
CCN(CC)CCOC1=C(C=CC(=C1)OC(=O)N(C)C)C(C)(C)C
InChI
InChI=1S/C19H32N2O3/c1-8-21(9-2)12-13-23-17-14-15(24-18(22)20(6)7)10-11-16(17)19(3,4)5/h10-11,14H,8-9,12-13H2,1-7H3
InChIKey
BOCBOKYAQRANJD-UHFFFAOYSA-N
Compound name
[4-tert-butyl-3-[2-(diethylamino)ethoxy]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2413 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.24858 185.5
[M+Na]+ 359.23052 189.6
[M-H]- 335.23402 191.3
[M+NH4]+ 354.27512 200.5
[M+K]+ 375.20446 190.2
[M+H-H2O]+ 319.23856 177.6
[M+HCOO]- 381.23950 208.1
[M+CH3COO]- 395.25515 224.9
[M+Na-2H]- 357.21597 185.9
[M]+ 336.24075 193.1
[M]- 336.24185 193.1
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.