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]+ 317.18596 177.3
[M+Na]+ 339.16790 182.3
[M-H]- 315.17140 181.8
[M+NH4]+ 334.21250 191.0
[M+K]+ 355.14184 180.0
[M+H-H2O]+ 299.17594 169.2
[M+HCOO]- 361.17688 198.8
[M+CH3COO]- 375.19253 213.3
[M+Na-2H]- 337.15335 181.6
[M]+ 316.17813 180.6
[M]- 316.17923 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.