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]+ 321.21728 180.8
[M+Na]+ 343.19922 184.9
[M-H]- 319.20272 186.5
[M+NH4]+ 338.24382 196.1
[M+K]+ 359.17316 185.1
[M+H-H2O]+ 303.20726 172.6
[M+HCOO]- 365.20820 204.5
[M+CH3COO]- 379.22385 221.6
[M+Na-2H]- 341.18467 179.5
[M]+ 320.20945 187.2
[M]- 320.21055 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.