CID 6449470

Brn 5989930

Structural Information

Molecular Formula
C19H16ClNO3
SMILES
CC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C19H16ClNO3/c1-12-19(23)21(2)16-9-6-14(11-18(16)24-12)17(22)10-5-13-3-7-15(20)8-4-13/h3-12H,1-2H3/b10-5+
InChIKey
CLJAAKBBMNXOSB-BJMVGYQFSA-N
Compound name
7-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.08188 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08916 178.5
[M+Na]+ 364.07110 188.2
[M-H]- 340.07460 185.4
[M+NH4]+ 359.11570 191.5
[M+K]+ 380.04504 182.7
[M+H-H2O]+ 324.07914 170.3
[M+HCOO]- 386.08008 191.3
[M+CH3COO]- 400.09573 211.8
[M+Na-2H]- 362.05655 180.5
[M]+ 341.08133 182.0
[M]- 341.08243 182.0
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.