CID 131750861

Alkaloid rc

Structural Information

Molecular Formula
C26H29NO11
SMILES
CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC6C(C(C(C(O6)CO)O)O)O)C7=C(C=C5)OCO7)OCO3
InChI
InChI=1S/C26H29NO11/c1-27-5-4-11-6-15-16(34-9-33-15)7-13(11)23-19(27)12-2-3-14-24(35-10-32-14)18(12)25(37-23)38-26-22(31)21(30)20(29)17(8-28)36-26/h2-3,6-7,17,19-23,25-26,28-31H,4-5,8-10H2,1H3
InChIKey
LOJGKLLTOGPATF-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-yl)oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.1741 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.18138 236.5
[M+Na]+ 554.16332 243.6
[M+NH4]+ 549.20792 239.9
[M+K]+ 570.13726 246.0
[M-H]- 530.16682 243.7
[M+Na-2H]- 552.14877 227.0
[M]+ 531.17355 239.4
[M]- 531.17465 239.4
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.