CID 146597

116385-33-2

Structural Information

Molecular Formula
C21H24O6
SMILES
CC1C(C2=CC3=C(C=C2OC1(C)OC)OCO3)C4=C(C=C(C=C4)OC)OC
InChI
InChI=1S/C21H24O6/c1-12-20(14-7-6-13(22-3)8-16(14)23-4)15-9-18-19(26-11-25-18)10-17(15)27-21(12,2)24-5/h6-10,12,20H,11H2,1-5H3
InChIKey
OJLSPKZVMHLCBB-UHFFFAOYSA-N
Compound name
8-(2,4-dimethoxyphenyl)-6-methoxy-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.1573 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.164576 186.6
[M+Na]+ 395.146518 196.0
[M-H]- 371.150024 197.6
[M+NH4]+ 390.191123 201.2
[M+K]+ 411.120458 197.0
[M+H-H2O]+ 355.154560 179.8
[M+HCOO]- 417.155501 202.6
[M+CH3COO]- 431.171151 219.5
[M+Na-2H]- 393.131966 190.6
[M]+ 372.15675142 195.3
[M]- 372.15784858 195.3
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

patents stripe