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]+ 310.107376 170.6
[M+Na]+ 332.089318 178.5
[M-H]- 308.092824 176.2
[M+NH4]+ 327.133923 182.9
[M+K]+ 348.063258 174.6
[M+H-H2O]+ 292.097360 162.0
[M+HCOO]- 354.098301 187.1
[M+CH3COO]- 368.113951 203.9
[M+Na-2H]- 330.074766 174.1
[M]+ 309.09955142 170.7
[M]- 309.10064858 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.