CID 384092

Nsc673314

Structural Information

Molecular Formula
C16H14ClNO5
SMILES
CC1=C(C(=O)NC(=C1)C2=C(C3=C(C(=C2O)OC)OC=C3)OC)Cl
InChI
InChI=1S/C16H14ClNO5/c1-7-6-9(18-16(20)11(7)17)10-12(19)15(22-3)14-8(4-5-23-14)13(10)21-2/h4-6,19H,1-3H3,(H,18,20)
InChIKey
KUOXPZNJOITSBQ-UHFFFAOYSA-N
Compound name
3-chloro-6-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-4-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.05606 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06334 172.0
[M+Na]+ 358.04528 186.0
[M-H]- 334.04878 178.8
[M+NH4]+ 353.08988 186.7
[M+K]+ 374.01922 181.3
[M+H-H2O]+ 318.05332 166.0
[M+HCOO]- 380.05426 188.8
[M+CH3COO]- 394.06991 205.4
[M+Na-2H]- 356.03073 174.9
[M]+ 335.05551 181.8
[M]- 335.05661 181.8
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.