CID 369597

Strobopinin-7-methylether

Structural Information

Molecular Formula
C17H16O4
SMILES
CC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)OC
InChI
InChI=1S/C17H16O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-7,9,14,19H,8H2,1-2H3
InChIKey
MJPLGHSVCRZIQU-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-6-methyl-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

284.10486 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 163.1
[M+Na]+ 307.09408 172.0
[M-H]- 283.09758 170.6
[M+NH4]+ 302.13868 178.3
[M+K]+ 323.06802 169.4
[M+H-H2O]+ 267.10212 155.6
[M+HCOO]- 329.10306 181.9
[M+CH3COO]- 343.11871 200.6
[M+Na-2H]- 305.07953 167.6
[M]+ 284.10431 164.9
[M]- 284.10541 164.9
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