CID 6449471

Brn 5984274

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]+ 356.10481 181.3
[M+Na]+ 378.08675 191.6
[M-H]- 354.09025 188.4
[M+NH4]+ 373.13135 195.8
[M+K]+ 394.06069 186.3
[M+H-H2O]+ 338.09479 173.4
[M+HCOO]- 400.09573 193.9
[M+CH3COO]- 414.11138 214.3
[M+Na-2H]- 376.07220 184.1
[M]+ 355.09698 185.5
[M]- 355.09808 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.