CID 6449467

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

Structural Information

Molecular Formula
C19H17NO3
SMILES
CC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=CC=C3)C
InChI
InChI=1S/C19H17NO3/c1-13-19(22)20(2)16-10-9-15(12-18(16)23-13)17(21)11-8-14-6-4-3-5-7-14/h3-13H,1-2H3/b11-8+
InChIKey
IXWYQDCVFURGMV-DHZHZOJOSA-N
Compound name
2,4-dimethyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12085 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.128126 171.8
[M+Na]+ 330.110068 179.9
[M-H]- 306.113574 178.6
[M+NH4]+ 325.154673 185.0
[M+K]+ 346.084008 175.9
[M+H-H2O]+ 290.118110 162.9
[M+HCOO]- 352.119051 189.3
[M+CH3COO]- 366.134701 206.9
[M+Na-2H]- 328.095516 175.0
[M]+ 307.12030142 172.6
[M]- 307.12139858 172.6
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.