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]+ 258.112476 153.7
[M+Na]+ 280.094418 160.8
[M-H]- 256.097924 157.3
[M+NH4]+ 275.139023 169.4
[M+K]+ 296.068358 160.7
[M+H-H2O]+ 240.102460 147.8
[M+HCOO]- 302.103401 170.4
[M+CH3COO]- 316.119051 194.6
[M+Na-2H]- 278.079866 159.2
[M]+ 257.10465142 150.8
[M]- 257.10574858 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.