CID 3050885

67170-43-8

Structural Information

Molecular Formula
C15H15NO3
SMILES
C=CCC1(C(=O)NC2=CC=CC=C2OC1=O)CC=C
InChI
InChI=1S/C15H15NO3/c1-3-9-15(10-4-2)13(17)16-11-7-5-6-8-12(11)19-14(15)18/h3-8H,1-2,9-10H2,(H,16,17)
InChIKey
GTEIQKSJABHGJE-UHFFFAOYSA-N
Compound name
3,3-bis(prop-2-enyl)-5H-1,5-benzoxazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 153.7
[M+Na]+ 280.09442 160.8
[M-H]- 256.09792 157.3
[M+NH4]+ 275.13902 169.4
[M+K]+ 296.06836 160.7
[M+H-H2O]+ 240.10246 147.8
[M+HCOO]- 302.10340 170.4
[M+CH3COO]- 316.11905 194.6
[M+Na-2H]- 278.07987 159.2
[M]+ 257.10465 150.8
[M]- 257.10575 150.8
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.