CID 23082663

Pyriofenone

Structural Information

Molecular Formula
C18H20ClNO5
SMILES
CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC
InChI
InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3
InChIKey
NMVCBWZLCXANER-UHFFFAOYSA-N
Compound name
(5-chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

7522
Patents

365.103 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11028 179.4
[M+Na]+ 388.09222 190.8
[M-H]- 364.09572 186.2
[M+NH4]+ 383.13682 192.6
[M+K]+ 404.06616 187.7
[M+H-H2O]+ 348.10026 171.8
[M+HCOO]- 410.10120 196.7
[M+CH3COO]- 424.11685 219.1
[M+Na-2H]- 386.07767 179.3
[M]+ 365.10245 191.3
[M]- 365.10355 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe