CID 6449473

Brn 5989931

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)O)C
InChI
InChI=1S/C19H17NO4/c1-12-19(23)20(2)16-9-6-14(11-18(16)24-12)17(22)10-5-13-3-7-15(21)8-4-13/h3-12,21H,1-2H3/b10-5+
InChIKey
KAGLCVWAMJWCFL-BJMVGYQFSA-N
Compound name
7-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,4-dimethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 175.3
[M+Na]+ 346.10497 189.7
[M+NH4]+ 341.14957 181.7
[M+K]+ 362.07891 183.1
[M-H]- 322.10847 179.4
[M+Na-2H]- 344.09042 180.2
[M]+ 323.11520 178.4
[M]- 323.11630 178.4
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.