CID 11110066

Flemichapparin a

Structural Information

Molecular Formula
C20H18O4
SMILES
CC1(C=CC2=C(C(=CC(=C2O1)O)C(=O)/C=C/C3=CC=CC=C3)O)C
InChI
InChI=1S/C20H18O4/c1-20(2)11-10-14-18(23)15(12-17(22)19(14)24-20)16(21)9-8-13-6-4-3-5-7-13/h3-12,22-23H,1-2H3/b9-8+
InChIKey
HZEJNIAQUFJSBF-CMDGGOBGSA-N
Compound name
(E)-1-(5,8-dihydroxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

322.1205 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 175.5
[M+Na]+ 345.10972 183.9
[M-H]- 321.11322 181.6
[M+NH4]+ 340.15432 190.2
[M+K]+ 361.08366 179.8
[M+H-H2O]+ 305.11776 168.2
[M+HCOO]- 367.11870 192.4
[M+CH3COO]- 381.13435 204.7
[M+Na-2H]- 343.09517 179.6
[M]+ 322.11995 176.6
[M]- 322.12105 176.6
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

patents stripe