CID 6449472

Brn 5983034

Structural Information

Molecular Formula
C18H15NO4
SMILES
CN1C(=O)COC2=C1C=CC(=C2)C(=O)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C18H15NO4/c1-19-15-8-5-13(10-17(15)23-11-18(19)22)16(21)9-4-12-2-6-14(20)7-3-12/h2-10,20H,11H2,1H3/b9-4+
InChIKey
ADAJBKBDAHQLEX-RUDMXATFSA-N
Compound name
7-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1001 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 170.8
[M+Na]+ 332.08932 185.1
[M+NH4]+ 327.13392 177.4
[M+K]+ 348.06326 178.5
[M-H]- 308.09282 174.9
[M+Na-2H]- 330.07477 176.2
[M]+ 309.09955 173.9
[M]- 309.10065 173.9
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.