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]+ 303.170336 175.5
[M+Na]+ 325.152278 179.0
[M-H]- 301.155784 182.5
[M+NH4]+ 320.196883 189.1
[M+K]+ 341.126218 179.7
[M+H-H2O]+ 285.160320 167.1
[M+HCOO]- 347.161261 195.6
[M+CH3COO]- 361.176911 215.0
[M+Na-2H]- 323.137726 179.4
[M]+ 302.16251142 178.0
[M]- 302.16360858 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.