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

literature stripe

Patent stripe

patents stripe