CID 3042360

59629-49-1

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCCCC(CC)CNC(=O)NC1=CC(=O)C2=CC=CC=C2O1
InChI
InChI=1S/C18H24N2O3/c1-3-5-8-13(4-2)12-19-18(22)20-17-11-15(21)14-9-6-7-10-16(14)23-17/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H2,19,20,22)
InChIKey
HMOQNVTUTWYIOB-UHFFFAOYSA-N
Compound name
1-(2-ethylhexyl)-3-(4-oxochromen-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 177.3
[M+Na]+ 339.167898 182.3
[M-H]- 315.171404 181.8
[M+NH4]+ 334.212503 191.0
[M+K]+ 355.141838 180.0
[M+H-H2O]+ 299.175940 169.2
[M+HCOO]- 361.176881 198.8
[M+CH3COO]- 375.192531 213.3
[M+Na-2H]- 337.153346 181.6
[M]+ 316.17813142 180.6
[M]- 316.17922858 180.6
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.