CID 6449474

Brn 5984275

Structural Information

Molecular Formula
C20H19NO4
SMILES
CC1(C(=O)N(C2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)O)C)C
InChI
InChI=1S/C20H19NO4/c1-20(2)19(24)21(3)16-10-7-14(12-18(16)25-20)17(23)11-6-13-4-8-15(22)9-5-13/h4-12,22H,1-3H3/b11-6+
InChIKey
LQCQXGKWFYMWIN-IZZDOVSWSA-N
Compound name
7-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1314 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 179.2
[M+Na]+ 360.12062 193.5
[M+NH4]+ 355.16522 186.9
[M+K]+ 376.09456 185.0
[M-H]- 336.12412 183.2
[M+Na-2H]- 358.10607 185.4
[M]+ 337.13085 182.5
[M]- 337.13195 182.5
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.