CID 146677410

Dtxsid501020785

Structural Information

Molecular Formula
C16H16ClNO5
SMILES
CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)O)O)OC
InChI
InChI=1S/C16H16ClNO5/c1-7-5-10(22-3)13(19)15(21)11(7)14(20)12-8(2)9(17)6-18-16(12)23-4/h5-6,19,21H,1-4H3
InChIKey
DNIJZCDDKSLOID-UHFFFAOYSA-N
Compound name
(5-chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3-dihydroxy-4-methoxy-6-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

337.0717 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07898 171.4
[M+Na]+ 360.06092 182.8
[M-H]- 336.06442 175.9
[M+NH4]+ 355.10552 184.4
[M+K]+ 376.03486 178.5
[M+H-H2O]+ 320.06896 164.9
[M+HCOO]- 382.06990 186.4
[M+CH3COO]- 396.08555 208.7
[M+Na-2H]- 358.04637 171.4
[M]+ 337.07115 179.0
[M]- 337.07225 179.0
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.