CID 6449471

123172-61-2

Structural Information

Molecular Formula
C20H18ClNO3
SMILES
CC1(C(=O)N(C2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl)C)C
InChI
InChI=1S/C20H18ClNO3/c1-20(2)19(24)22(3)16-10-7-14(12-18(16)25-20)17(23)11-6-13-4-8-15(21)9-5-13/h4-12H,1-3H3/b11-6+
InChIKey
DDBAPLKUMALLQA-IZZDOVSWSA-N
Compound name
7-[(E)-3-(4-chlorophenyl)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

355.09753 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.104806 181.3
[M+Na]+ 378.086748 191.6
[M-H]- 354.090254 188.4
[M+NH4]+ 373.131353 195.8
[M+K]+ 394.060688 186.3
[M+H-H2O]+ 338.094790 173.4
[M+HCOO]- 400.095731 193.9
[M+CH3COO]- 414.111381 214.3
[M+Na-2H]- 376.072196 184.1
[M]+ 355.09698142 185.5
[M]- 355.09807858 185.5
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.