CID 58470

101491-85-4

Structural Information

Molecular Formula
C20H34N2O3
SMILES
CCN(CC)CCOC(=O)N(CC)C(C)COC1=CC(=CC(=C1)C)C
InChI
InChI=1S/C20H34N2O3/c1-7-21(8-2)10-11-24-20(23)22(9-3)18(6)15-25-19-13-16(4)12-17(5)14-19/h12-14,18H,7-11,15H2,1-6H3
InChIKey
HJMPTTKSGQSXQP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylcarbamate
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 191.6
[M+Na]+ 373.24618 194.4
[M-H]- 349.24968 196.8
[M+NH4]+ 368.29078 205.6
[M+K]+ 389.22012 194.8
[M+H-H2O]+ 333.25422 182.8
[M+HCOO]- 395.25516 214.3
[M+CH3COO]- 409.27081 229.0
[M+Na-2H]- 371.23163 189.1
[M]+ 350.25641 199.4
[M]- 350.25751 199.4
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.