CID 58051

C 2140

Structural Information

Molecular Formula
C19H32N2O3
SMILES
CCN(CC)CCOC(=O)N(C)C(C)COC1=CC(=CC(=C1)C)C
InChI
InChI=1S/C19H32N2O3/c1-7-21(8-2)9-10-23-19(22)20(6)17(5)14-24-18-12-15(3)11-16(4)13-18/h11-13,17H,7-10,14H2,1-6H3
InChIKey
BXSNFTFUEIBYSC-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2413 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.24858 186.9
[M+Na]+ 359.23052 190.2
[M-H]- 335.23402 192.3
[M+NH4]+ 354.27512 201.5
[M+K]+ 375.20446 190.8
[M+H-H2O]+ 319.23856 178.4
[M+HCOO]- 381.23950 210.0
[M+CH3COO]- 395.25515 226.0
[M+Na-2H]- 357.21597 185.0
[M]+ 336.24075 194.4
[M]- 336.24185 194.4
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.