CID 6477377

5-chloro-4'-n-dimethyl aurone

Structural Information

Molecular Formula
C17H14ClNO2
SMILES
CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C17H14ClNO2/c1-19(2)13-6-3-11(4-7-13)9-16-17(20)14-10-12(18)5-8-15(14)21-16/h3-10H,1-2H3/b16-9-
InChIKey
TXAACZUJTQERQU-SXGWCWSVSA-N
Compound name
(2Z)-5-chloro-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07132 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07860 169.5
[M+Na]+ 322.06054 179.5
[M-H]- 298.06404 179.5
[M+NH4]+ 317.10514 187.8
[M+K]+ 338.03448 175.0
[M+H-H2O]+ 282.06858 163.1
[M+HCOO]- 344.06952 188.7
[M+CH3COO]- 358.08517 207.3
[M+Na-2H]- 320.04599 172.2
[M]+ 299.07077 174.1
[M]- 299.07187 174.1
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.