CID 6449472

2h-1,4-benzoxazin-3(4h)-one, 7-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-4-methyl-, (e)-

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 170.6
[M+Na]+ 332.08932 178.5
[M-H]- 308.09282 176.2
[M+NH4]+ 327.13392 182.9
[M+K]+ 348.06326 174.6
[M+H-H2O]+ 292.09736 162.0
[M+HCOO]- 354.09830 187.1
[M+CH3COO]- 368.11395 203.9
[M+Na-2H]- 330.07477 174.1
[M]+ 309.09955 170.7
[M]- 309.10065 170.7
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.