CID 78385284

Epiporphyroxine, o14-demethyl-n-methyl-

Structural Information

Molecular Formula
C20H21NO6
SMILES
CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)O)C5=C(C=C4)OCO5)O)OC
InChI
InChI=1S/C20H21NO6/c1-21-6-5-10-7-15(24-2)13(22)8-12(10)18-17(21)11-3-4-14-19(26-9-25-14)16(11)20(23)27-18/h3-4,7-8,17-18,20,22-23H,5-6,9H2,1-2H3
InChIKey
DPRSKEMBOBQDJV-UHFFFAOYSA-N
Compound name
17-methoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene-11,16-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

371.1369 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.144176 182.8
[M+Na]+ 394.126118 190.9
[M-H]- 370.129624 189.8
[M+NH4]+ 389.170723 194.2
[M+K]+ 410.100058 192.8
[M+H-H2O]+ 354.134160 177.6
[M+HCOO]- 416.135101 191.4
[M+CH3COO]- 430.150751 192.4
[M+Na-2H]- 392.111566 186.0
[M]+ 371.13635142 183.7
[M]- 371.13744858 183.7
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

patents stripe