CID 3077708

135420-33-6

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]+ 308.128126 171.1
[M+Na]+ 330.110068 178.7
[M-H]- 306.113574 177.9
[M+NH4]+ 325.154673 184.0
[M+K]+ 346.084008 175.3
[M+H-H2O]+ 290.118110 162.3
[M+HCOO]- 352.119051 187.5
[M+CH3COO]- 366.134701 208.5
[M+Na-2H]- 328.095516 173.2
[M]+ 307.12030142 171.3
[M]- 307.12139858 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.