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]+ 393.311176 204.1
[M+Na]+ 415.293118 206.4
[M-H]- 391.296624 209.1
[M+NH4]+ 410.337723 216.7
[M+K]+ 431.267058 206.1
[M+H-H2O]+ 375.301160 195.5
[M+HCOO]- 437.302101 225.3
[M+CH3COO]- 451.317751 236.7
[M+Na-2H]- 413.278566 202.4
[M]+ 392.30335142 213.2
[M]- 392.30444858 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.