CID 44257517

4-(5-methoxy-2,2-dimethyl-7,8-dihydro-6h-pyrano[3,2-g]chromen-7-yl)benzene-1,3-diol

Structural Information

Molecular Formula
C21H22O5
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2OC)CC(CO3)C4=C(C=C(C=C4)O)O)C
InChI
InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3
InChIKey
FLKVRTIAGSMQLN-UHFFFAOYSA-N
Compound name
4-(5-methoxy-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.14673 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.154006 184.0
[M+Na]+ 377.135948 192.7
[M-H]- 353.139454 191.6
[M+NH4]+ 372.180553 197.3
[M+K]+ 393.109888 190.8
[M+H-H2O]+ 337.143990 175.6
[M+HCOO]- 399.144931 196.9
[M+CH3COO]- 413.160581 194.3
[M+Na-2H]- 375.121396 188.9
[M]+ 354.14618142 186.3
[M]- 354.14727858 186.3
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

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