CID 5087

29925-17-5

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OC
InChI
InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
InChIKey
PDMUULPVBYQBBK-UHFFFAOYSA-N
Compound name
4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

469
References

1022
Patents

278.16306 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 166.5
[M+Na]+ 301.152278 172.4
[M-H]- 277.155784 167.3
[M+NH4]+ 296.196883 180.3
[M+K]+ 317.126218 167.9
[M+H-H2O]+ 261.160320 158.2
[M+HCOO]- 323.161261 183.5
[M+CH3COO]- 337.176911 194.7
[M+Na-2H]- 299.137726 166.4
[M]+ 278.16251142 165.8
[M]- 278.16360858 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe