CID 24750459

3',4',5',7,8-pentamethoxyflavan

Structural Information

Molecular Formula
C20H24O6
SMILES
COC1=C(C2=C(CCC(O2)C3=CC(=C(C(=C3)OC)OC)OC)C=C1)OC
InChI
InChI=1S/C20H24O6/c1-21-15-9-7-12-6-8-14(26-18(12)20(15)25-5)13-10-16(22-2)19(24-4)17(11-13)23-3/h7,9-11,14H,6,8H2,1-5H3
InChIKey
PAGHIDUEYGMXRM-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1573 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.164576 183.8
[M+Na]+ 383.146518 191.9
[M-H]- 359.150024 192.4
[M+NH4]+ 378.191123 196.7
[M+K]+ 399.120458 191.7
[M+H-H2O]+ 343.154560 174.9
[M+HCOO]- 405.155501 203.0
[M+CH3COO]- 419.171151 218.2
[M+Na-2H]- 381.131966 186.6
[M]+ 360.15675142 192.4
[M]- 360.15784858 192.4
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.