CID 13589559

56980-98-4

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC2CO2)C(=O)C
InChI
InChI=1S/C16H22N2O4/c1-4-18(5-2)16(20)17-12-6-7-15(14(8-12)11(3)19)22-10-13-9-21-13/h6-8,13H,4-5,9-10H2,1-3H3,(H,17,20)
InChIKey
FSYIFALAMPAWSR-UHFFFAOYSA-N
Compound name
3-[3-acetyl-4-(oxiran-2-ylmethoxy)phenyl]-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

306.15796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 171.2
[M+Na]+ 329.147178 177.8
[M-H]- 305.150684 180.5
[M+NH4]+ 324.191783 180.3
[M+K]+ 345.121118 176.8
[M+H-H2O]+ 289.155220 163.0
[M+HCOO]- 351.156161 194.6
[M+CH3COO]- 365.171811 215.5
[M+Na-2H]- 327.132626 173.4
[M]+ 306.15741142 178.9
[M]- 306.15850858 178.9
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

patents stripe