CID 6449467

Brn 5981681

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]+ 308.12813 171.8
[M+Na]+ 330.11007 179.9
[M-H]- 306.11357 178.6
[M+NH4]+ 325.15467 185.0
[M+K]+ 346.08401 175.9
[M+H-H2O]+ 290.11811 162.9
[M+HCOO]- 352.11905 189.3
[M+CH3COO]- 366.13470 206.9
[M+Na-2H]- 328.09552 175.0
[M]+ 307.12030 172.6
[M]- 307.12140 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.