CID 6449466

2h-1,4-benzoxazin-3(4h)-one, 4-methyl-7-(1-oxo-3-phenyl-2-propenyl)-, (e)-

Structural Information

Molecular Formula
C18H15NO3
SMILES
CN1C(=O)COC2=C1C=CC(=C2)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H15NO3/c1-19-15-9-8-14(11-17(15)22-12-18(19)21)16(20)10-7-13-5-3-2-4-6-13/h2-11H,12H2,1H3/b10-7+
InChIKey
MDJXVHUTJSOPKH-JXMROGBWSA-N
Compound name
4-methyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.1052 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.112476 167.2
[M+Na]+ 316.094418 174.8
[M-H]- 292.097924 173.8
[M+NH4]+ 311.139023 180.6
[M+K]+ 332.068358 170.9
[M+H-H2O]+ 276.102460 158.2
[M+HCOO]- 338.103401 185.0
[M+CH3COO]- 352.119051 202.7
[M+Na-2H]- 314.079866 171.7
[M]+ 293.10465142 167.2
[M]- 293.10574858 167.2
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

patents stripe