CID 25208124

Moracin p

Structural Information

Molecular Formula
C19H18O5
SMILES
CC1([C@@H](CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)C
InChI
InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3/t18-/m1/s1
InChIKey
QFUCSEIKNTUPPA-GOSISDBHSA-N
Compound name
5-[(6R)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

15
Patents

326.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.122696 173.6
[M+Na]+ 349.104638 184.7
[M-H]- 325.108144 181.3
[M+NH4]+ 344.149243 189.7
[M+K]+ 365.078578 181.8
[M+H-H2O]+ 309.112680 167.8
[M+HCOO]- 371.113621 189.5
[M+CH3COO]- 385.129271 185.7
[M+Na-2H]- 347.090086 178.6
[M]+ 326.11487142 177.4
[M]- 326.11596858 177.4
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