CID 44257205

Tephrowatsin b

Structural Information

Molecular Formula
C22H24O3
SMILES
CC(=CCC1=C(C=C(C2=C1O[C@@H](C=C2)C3=CC=CC=C3)OC)OC)C
InChI
InChI=1S/C22H24O3/c1-15(2)10-11-17-20(23-3)14-21(24-4)18-12-13-19(25-22(17)18)16-8-6-5-7-9-16/h5-10,12-14,19H,11H2,1-4H3/t19-/m0/s1
InChIKey
GTWNOIJIMUFLGQ-IBGZPJMESA-N
Compound name
(2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.17255 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17983 182.6
[M+Na]+ 359.16177 189.7
[M-H]- 335.16527 190.6
[M+NH4]+ 354.20637 196.1
[M+K]+ 375.13571 186.4
[M+H-H2O]+ 319.16981 173.8
[M+HCOO]- 381.17075 201.3
[M+CH3COO]- 395.18640 214.2
[M+Na-2H]- 357.14722 185.0
[M]+ 336.17200 186.6
[M]- 336.17310 186.6
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.