CID 56710

Fc 142

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCN(CC)C(=O)CN(C1=C(C=CC=C1C)C)C(=O)OCC
InChI
InChI=1S/C17H26N2O3/c1-6-18(7-2)15(20)12-19(17(21)22-8-3)16-13(4)10-9-11-14(16)5/h9-11H,6-8,12H2,1-5H3
InChIKey
IBKFROSLVIUNSK-UHFFFAOYSA-N
Compound name
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 176.1
[M+Na]+ 329.18356 180.6
[M-H]- 305.18706 182.0
[M+NH4]+ 324.22816 192.0
[M+K]+ 345.15750 181.1
[M+H-H2O]+ 289.19160 168.1
[M+HCOO]- 351.19254 200.1
[M+CH3COO]- 365.20819 218.6
[M+Na-2H]- 327.16901 175.3
[M]+ 306.19379 182.1
[M]- 306.19489 182.1
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.