CID 56859

Brn 3163985

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCN(CC)C(=O)CCN(C1=C(C=CC=C1C)C)C(=O)OCC
InChI
InChI=1S/C18H28N2O3/c1-6-19(7-2)16(21)12-13-20(18(22)23-8-3)17-14(4)10-9-11-15(17)5/h9-11H,6-8,12-13H2,1-5H3
InChIKey
NJEBFISSQYAYMD-UHFFFAOYSA-N
Compound name
ethyl N-[3-(diethylamino)-3-oxopropyl]-N-(2,6-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.217276 180.8
[M+Na]+ 343.199218 184.9
[M-H]- 319.202724 186.5
[M+NH4]+ 338.243823 196.1
[M+K]+ 359.173158 185.1
[M+H-H2O]+ 303.207260 172.6
[M+HCOO]- 365.208201 204.5
[M+CH3COO]- 379.223851 221.6
[M+Na-2H]- 341.184666 179.5
[M]+ 320.20945142 187.2
[M]- 320.21054858 187.2
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.