CID 3088515

Carbamic acid, dimethyl-, 3-(2-(dibutylamino)ethoxy)-4-(1,1-dimethylethyl)phenyl ester, monohydrochloride

Structural Information

Molecular Formula
C23H40N2O3
SMILES
CCCCN(CCCC)CCOC1=C(C=CC(=C1)OC(=O)N(C)C)C(C)(C)C
InChI
InChI=1S/C23H40N2O3/c1-8-10-14-25(15-11-9-2)16-17-27-21-18-19(28-22(26)24(6)7)12-13-20(21)23(3,4)5/h12-13,18H,8-11,14-17H2,1-7H3
InChIKey
XCBPSBHYWAAMJS-UHFFFAOYSA-N
Compound name
[4-tert-butyl-3-[2-(dibutylamino)ethoxy]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.3039 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.31118 204.1
[M+Na]+ 415.29312 206.4
[M-H]- 391.29662 209.1
[M+NH4]+ 410.33772 216.7
[M+K]+ 431.26706 206.1
[M+H-H2O]+ 375.30116 195.5
[M+HCOO]- 437.30210 225.3
[M+CH3COO]- 451.31775 236.7
[M+Na-2H]- 413.27857 202.4
[M]+ 392.30335 213.2
[M]- 392.30445 213.2
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.