CID 6449468

123172-58-7

Structural Information

Molecular Formula
C20H19NO3
SMILES
CC1(C(=O)N(C2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=CC=C3)C)C
InChI
InChI=1S/C20H19NO3/c1-20(2)19(23)21(3)16-11-10-15(13-18(16)24-20)17(22)12-9-14-7-5-4-6-8-14/h4-13H,1-3H3/b12-9+
InChIKey
CLMNOXZXAXYHMF-FMIVXFBMSA-N
Compound name
2,2,4-trimethyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.143776 175.6
[M+Na]+ 344.125718 184.3
[M-H]- 320.129224 182.6
[M+NH4]+ 339.170323 190.3
[M+K]+ 360.099658 180.5
[M+H-H2O]+ 304.133760 166.9
[M+HCOO]- 366.134701 192.8
[M+CH3COO]- 380.150351 209.4
[M+Na-2H]- 342.111166 179.5
[M]+ 321.13595142 177.1
[M]- 321.13704858 177.1
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.