CID 10333337

7-hydroxy-5-methoxy-6-methylflavan

Structural Information

Molecular Formula
C17H18O3
SMILES
CC1=C(C2=C(C=C1O)O[C@@H](CC2)C3=CC=CC=C3)OC
InChI
InChI=1S/C17H18O3/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12/h3-7,10,15,18H,8-9H2,1-2H3/t15-/m0/s1
InChIKey
PZRKAAPKQGONFG-HNNXBMFYSA-N
Compound name
(2S)-5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

270.12558 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 161.2
[M+Na]+ 293.11480 169.2
[M-H]- 269.11830 168.4
[M+NH4]+ 288.15940 177.0
[M+K]+ 309.08874 166.3
[M+H-H2O]+ 253.12284 153.7
[M+HCOO]- 315.12378 179.7
[M+CH3COO]- 329.13943 173.3
[M+Na-2H]- 291.10025 166.4
[M]+ 270.12503 161.9
[M]- 270.12613 161.9
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