CID 6439424

Folipastatin

Structural Information

Molecular Formula
C23H24O5
SMILES
C/C=C(/C)\C1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)O)/C(=C\C)/C)C)O
InChI
InChI=1S/C23H24O5/c1-7-11(3)15-9-17(24)13(5)20-19(15)23(26)28-21-14(6)18(25)10-16(12(4)8-2)22(21)27-20/h7-10,24-25H,1-6H3/b11-7-,12-8-
InChIKey
JJMKBGPTPXPMBH-OXAWKVHCSA-N
Compound name
1,7-bis[(Z)-but-2-en-2-yl]-3,9-dihydroxy-4,10-dimethylbenzo[b][1,4]benzodioxepin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

42
Patents

380.16238 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.169656 188.2
[M+Na]+ 403.151598 196.3
[M-H]- 379.155104 194.6
[M+NH4]+ 398.196203 199.0
[M+K]+ 419.125538 198.8
[M+H-H2O]+ 363.159640 183.6
[M+HCOO]- 425.160581 200.6
[M+CH3COO]- 439.176231 222.9
[M+Na-2H]- 401.137046 187.4
[M]+ 380.16183142 190.5
[M]- 380.16292858 190.5
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