CID 6445649

Rifamycin b dipropylmethylhydrazide

Structural Information

Molecular Formula
C46H65N3O13
SMILES
CCCN(CCC)N(C)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
InChI
InChI=1S/C46H65N3O13/c1-13-19-49(20-14-2)48(11)34(51)23-59-33-22-31-41(55)36-35(33)37-43(29(8)40(36)54)62-46(10,44(37)56)60-21-18-32(58-12)26(5)42(61-30(9)50)28(7)39(53)27(6)38(52)24(3)16-15-17-25(4)45(57)47-31/h15-18,21-22,24,26-28,32,38-39,42,52-55H,13-14,19-20,23H2,1-12H3,(H,47,57)/b16-15+,21-18+,25-17+
InChIKey
HAXGPPXYTUEPCU-FPKVEUFISA-N
Compound name
[(9E,19E,21E)-27-[2-[(dipropylamino)-methylamino]-2-oxoethoxy]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-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

867.4517 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 868.45898 290.1
[M+Na]+ 890.44092 296.0
[M+NH4]+ 885.48552 293.3
[M+K]+ 906.41486 298.8
[M-H]- 866.44442 290.6
[M+Na-2H]- 888.42637 297.4
[M]+ 867.45115 292.3
[M]- 867.45225 292.3
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.