CID 203131

13988-24-4

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CN(CC1COC2=CC=CC=C2O1)C(=O)N(CC=C)CC=C
InChI
InChI=1S/C17H22N2O3/c1-4-10-19(11-5-2)17(20)18(3)12-14-13-21-15-8-6-7-9-16(15)22-14/h4-9,14H,1-2,10-13H2,3H3
InChIKey
SVQHPQRSZJSPEB-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-3,3-bis(prop-2-enyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 173.6
[M+Na]+ 325.15228 183.4
[M+NH4]+ 320.19688 180.2
[M+K]+ 341.12622 177.9
[M-H]- 301.15578 178.8
[M+Na-2H]- 323.13773 176.5
[M]+ 302.16251 176.2
[M]- 302.16361 176.2
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.