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 179.0
[M+Na]+ 360.12062 187.9
[M-H]- 336.12412 185.0
[M+NH4]+ 355.16522 192.5
[M+K]+ 376.09456 184.1
[M+H-H2O]+ 320.12866 170.6
[M+HCOO]- 382.12960 194.7
[M+CH3COO]- 396.14525 210.6
[M+Na-2H]- 358.10607 181.9
[M]+ 337.13085 180.6
[M]- 337.13195 180.6
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.