CID 3077708

Brn 4327081

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/c1-12(14-7-5-4-6-8-14)18(21)15-9-10-16-17(11-15)23-13(2)19(22)20(16)3/h4-11,13H,1H2,2-3H3
InChIKey
FXOOEZZTROBMDB-UHFFFAOYSA-N
Compound name
2,4-dimethyl-7-(2-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 171.1
[M+Na]+ 330.11007 178.7
[M-H]- 306.11357 177.9
[M+NH4]+ 325.15467 184.0
[M+K]+ 346.08401 175.3
[M+H-H2O]+ 290.11811 162.3
[M+HCOO]- 352.11905 187.5
[M+CH3COO]- 366.13470 208.5
[M+Na-2H]- 328.09552 173.2
[M]+ 307.12030 171.3
[M]- 307.12140 171.3
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.