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 175.5
[M+Na]+ 325.15228 179.0
[M-H]- 301.15578 182.5
[M+NH4]+ 320.19688 189.1
[M+K]+ 341.12622 179.7
[M+H-H2O]+ 285.16032 167.1
[M+HCOO]- 347.16126 195.6
[M+CH3COO]- 361.17691 215.0
[M+Na-2H]- 323.13773 179.4
[M]+ 302.16251 178.0
[M]- 302.16361 178.0
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.