CID 14542258

Citrunobin

Structural Information

Molecular Formula
C21H20O5
SMILES
CC1(C=CC2=C(C=C(C(=C2O1)C(=O)/C=C/C3=CC=C(C=C3)O)O)OC)C
InChI
InChI=1S/C21H20O5/c1-21(2)11-10-15-18(25-3)12-17(24)19(20(15)26-21)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+
InChIKey
RPGWAGOTDRYEAD-RMKNXTFCSA-N
Compound name
(E)-1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

352.13107 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 182.3
[M+Na]+ 375.12029 196.5
[M+NH4]+ 370.16489 190.1
[M+K]+ 391.09423 188.2
[M-H]- 351.12379 186.6
[M+Na-2H]- 373.10574 188.8
[M]+ 352.13052 185.7
[M]- 352.13162 185.7
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