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 214.4
[M+Na]+ 554.16332 218.9
[M-H]- 530.16682 223.9
[M+NH4]+ 549.20792 216.4
[M+K]+ 570.13726 224.2
[M+H-H2O]+ 514.17136 211.2
[M+HCOO]- 576.17230 212.2
[M+CH3COO]- 590.18795 219.9
[M+Na-2H]- 552.14877 229.6
[M]+ 531.17355 216.0
[M]- 531.17465 216.0
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.