CID 51136402

Compound np-016441

Structural Information

Molecular Formula
C21H20O4
SMILES
CC1(C2C1OC3=CC(=C4C(=O)CC(OC4=C23)C5=CC=CC=C5)OC)C
InChI
InChI=1S/C21H20O4/c1-21(2)18-17-15(25-20(18)21)10-14(23-3)16-12(22)9-13(24-19(16)17)11-7-5-4-6-8-11/h4-8,10,13,18,20H,9H2,1-3H3
InChIKey
NGRRXMZEVSBATO-UHFFFAOYSA-N
Compound name
9-methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.02,7.03,5]tetradeca-1,7,9-trien-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.13617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.143446 177.0
[M+Na]+ 359.125388 189.4
[M-H]- 335.128894 188.6
[M+NH4]+ 354.169993 190.6
[M+K]+ 375.099328 186.8
[M+H-H2O]+ 319.133430 170.6
[M+HCOO]- 381.134371 192.5
[M+CH3COO]- 395.150021 189.2
[M+Na-2H]- 357.110836 181.4
[M]+ 336.13562142 185.0
[M]- 336.13671858 185.0
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.