CID 6444442

Rifamycin sv, 8-(piperidinomethyl)-

Structural Information

Molecular Formula
C43H58N2O12
SMILES
CC1/C=C/C=C(/C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN5CCCCC5)\C
InChI
InChI=1S/C43H58N2O12/c1-21-14-13-15-22(2)42(53)44-33-28(20-45-17-11-10-12-18-45)37(50)30-31(38(33)51)36(49)26(6)40-32(30)41(52)43(8,57-40)55-19-16-29(54-9)23(3)39(56-27(7)46)25(5)35(48)24(4)34(21)47/h13-16,19,21,23-25,29,34-35,39,47-51H,10-12,17-18,20H2,1-9H3,(H,44,53)/b14-13+,19-16+,22-15+
InChIKey
XBZVGVKCHFRKIC-PWBPZJNOSA-N
Compound name
[(9E,19E,21E)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-26-(piperidin-1-ylmethyl)-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

794.399 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 795.40628 277.9
[M+Na]+ 817.38822 283.2
[M+NH4]+ 812.43282 280.2
[M+K]+ 833.36216 288.2
[M-H]- 793.39172 277.3
[M+Na-2H]- 815.37367 283.3
[M]+ 794.39845 279.0
[M]- 794.39955 279.0
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.