CID 10449043

Cudraxanthone

Structural Information

Molecular Formula
C19H18O5
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)OC)C
InChI
InChI=1S/C19H18O5/c1-10(2)7-8-11-14(23-3)9-15-16(17(11)21)18(22)12-5-4-6-13(20)19(12)24-15/h4-7,9,20-21H,8H2,1-3H3
InChIKey
INFMYEMPDJIILH-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

58
Patents

326.11542 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 173.6
[M+Na]+ 349.10464 184.8
[M-H]- 325.10814 178.5
[M+NH4]+ 344.14924 188.0
[M+K]+ 365.07858 181.2
[M+H-H2O]+ 309.11268 166.5
[M+HCOO]- 371.11362 191.9
[M+CH3COO]- 385.12927 208.4
[M+Na-2H]- 347.09009 178.3
[M]+ 326.11487 180.3
[M]- 326.11597 180.3
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