CID 6446196

Rifamycin b piperidinylpropylamide

Structural Information

Molecular Formula
C47H65N3O13
SMILES
CCCN(C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)N5CCCCC5
InChI
InChI=1S/C47H65N3O13/c1-11-19-50(49-20-13-12-14-21-49)35(52)24-60-34-23-32-42(56)37-36(34)38-44(30(7)41(37)55)63-47(9,45(38)57)61-22-18-33(59-10)27(4)43(62-31(8)51)29(6)40(54)28(5)39(53)25(2)16-15-17-26(3)46(58)48-32/h15-18,22-23,25,27-29,33,39-40,43,53-56H,11-14,19-21,24H2,1-10H3,(H,48,58)/b16-15+,22-18+,26-17+
InChIKey
QIAHUYUGMUZYSJ-ZCLLGAQWSA-N
Compound name
[(9E,19E,21E)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-27-[2-oxo-2-[piperidin-1-yl(propyl)amino]ethoxy]-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

879.4517 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 880.45898 287.8
[M+Na]+ 902.44092 292.7
[M-H]- 878.44442 283.5
[M+NH4]+ 897.48552 288.1
[M+K]+ 918.41486 278.3
[M+H-H2O]+ 862.44896 271.7
[M+HCOO]- 924.44990 288.9
[M+CH3COO]- 938.46555 291.1
[M+Na-2H]- 900.42637 291.6
[M]+ 879.45115 301.3
[M]- 879.45225 301.3
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.