CID 1042895

Felamidin

Structural Information

Molecular Formula
C21H18O5
SMILES
CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H18O5/c1-21(2,26-20(23)13-6-4-3-5-7-13)18-11-15-10-14-8-9-19(22)25-16(14)12-17(15)24-18/h3-10,12,18H,11H2,1-2H3/t18-/m0/s1
InChIKey
VIPXLQMQEIDXMH-SFHVURJKSA-N
Compound name
2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

350.11542 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12270 179.8
[M+Na]+ 373.10464 188.0
[M-H]- 349.10814 189.9
[M+NH4]+ 368.14924 193.7
[M+K]+ 389.07858 186.9
[M+H-H2O]+ 333.11268 172.9
[M+HCOO]- 395.11362 197.3
[M+CH3COO]- 409.12927 212.3
[M+Na-2H]- 371.09009 185.6
[M]+ 350.11487 185.0
[M]- 350.11597 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

literature stripe

Patent stripe

patents stripe