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

8
Patents

306.15796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16524 171.2
[M+Na]+ 329.14718 177.8
[M-H]- 305.15068 180.5
[M+NH4]+ 324.19178 180.3
[M+K]+ 345.12112 176.8
[M+H-H2O]+ 289.15522 163.0
[M+HCOO]- 351.15616 194.6
[M+CH3COO]- 365.17181 215.5
[M+Na-2H]- 327.13263 173.4
[M]+ 306.15741 178.9
[M]- 306.15851 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