CID 58037

C 2136

Structural Information

Molecular Formula
C20H34N2O3
SMILES
CCN(CC)CCOC(=O)N(C)C(C)COC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C20H34N2O3/c1-8-22(9-2)10-11-24-20(23)21(7)18(6)14-25-19-16(4)12-15(3)13-17(19)5/h12-13,18H,8-11,14H2,1-7H3
InChIKey
NPBQZHJMZLBKDW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-methyl-N-[1-(2,4,6-trimethylphenoxy)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.25696 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.26424 189.0
[M+Na]+ 373.24618 197.6
[M+NH4]+ 368.29078 194.5
[M+K]+ 389.22012 192.5
[M-H]- 349.24968 191.0
[M+Na-2H]- 371.23163 191.9
[M]+ 350.25641 190.5
[M]- 350.25751 190.5
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.