CID 44257201

4'-hydroxy-5,7-dimethoxy-8-methylflavan

Structural Information

Molecular Formula
C18H20O4
SMILES
CC1=C2C(=C(C=C1OC)OC)CC[C@H](O2)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H20O4/c1-11-16(20-2)10-17(21-3)14-8-9-15(22-18(11)14)12-4-6-13(19)7-5-12/h4-7,10,15,19H,8-9H2,1-3H3/t15-/m0/s1
InChIKey
QLOCJYGIPSLTMH-HNNXBMFYSA-N
Compound name
4-[(2S)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

300.13617 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 169.1
[M+Na]+ 323.12539 177.3
[M-H]- 299.12889 176.5
[M+NH4]+ 318.16999 183.8
[M+K]+ 339.09933 175.0
[M+H-H2O]+ 283.13343 161.3
[M+HCOO]- 345.13437 187.3
[M+CH3COO]- 359.15002 204.2
[M+Na-2H]- 321.11084 173.1
[M]+ 300.13562 172.0
[M]- 300.13672 172.0
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