CID 15731056

Xanthoangelol c

Structural Information

Molecular Formula
C22H22O5
SMILES
C/C(=C\CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/CCC=O
InChI
InChI=1S/C22H22O5/c1-15(3-2-14-23)4-10-18-21(26)13-11-19(22(18)27)20(25)12-7-16-5-8-17(24)9-6-16/h4-9,11-14,24,26-27H,2-3,10H2,1H3/b12-7+,15-4+
InChIKey
SXDGLCCGJJGJRY-FEUCYYSJSA-N
Compound name
(E)-6-[2,6-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylhex-4-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

366.14673 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15401 187.4
[M+Na]+ 389.13595 193.0
[M-H]- 365.13945 189.8
[M+NH4]+ 384.18055 197.7
[M+K]+ 405.10989 186.8
[M+H-H2O]+ 349.14399 179.6
[M+HCOO]- 411.14493 204.2
[M+CH3COO]- 425.16058 211.4
[M+Na-2H]- 387.12140 184.8
[M]+ 366.14618 188.3
[M]- 366.14728 188.3
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

No patent data available for this compound.