CID 44257283

Erythrinin c

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(C)(C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C20H18O6/c1-20(2,24)16-7-12-14(26-16)8-15-17(18(12)22)19(23)13(9-25-15)10-3-5-11(21)6-4-10/h3-6,8-9,16,21-22,24H,7H2,1-2H3
InChIKey
NNBVKGDFOQADTG-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

354.11035 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 180.0
[M+Na]+ 377.09957 189.7
[M-H]- 353.10307 187.4
[M+NH4]+ 372.14417 192.6
[M+K]+ 393.07351 187.5
[M+H-H2O]+ 337.10761 174.4
[M+HCOO]- 399.10855 194.2
[M+CH3COO]- 413.12420 209.6
[M+Na-2H]- 375.08502 184.8
[M]+ 354.10980 183.9
[M]- 354.11090 183.9
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