CID 44257204

Hildgardtene

Structural Information

Molecular Formula
C21H20O3
SMILES
CC(=C)C1CC2=C3C(=C(C=C2O1)OC)C=C[C@H](O3)C4=CC=CC=C4
InChI
InChI=1S/C21H20O3/c1-13(2)18-11-16-20(23-18)12-19(22-3)15-9-10-17(24-21(15)16)14-7-5-4-6-8-14/h4-10,12,17-18H,1,11H2,2-3H3/t17-,18?/m0/s1
InChIKey
VVPMOJMAMXGTAR-ZENAZSQFSA-N
Compound name
(2S)-5-methoxy-2-phenyl-8-prop-1-en-2-yl-8,9-dihydro-2H-furo[2,3-h]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.14124 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14852 176.0
[M+Na]+ 343.13046 184.0
[M-H]- 319.13396 185.8
[M+NH4]+ 338.17506 191.5
[M+K]+ 359.10440 181.3
[M+H-H2O]+ 303.13850 168.9
[M+HCOO]- 365.13944 193.2
[M+CH3COO]- 379.15509 187.7
[M+Na-2H]- 341.11591 178.7
[M]+ 320.14069 178.5
[M]- 320.14179 178.5
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