CID 135611786

Rifamycin, 3-(((phenylacetyl)hydrazono)methyl)-

Structural Information

Molecular Formula
C46H55N3O13
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)/C=N/NC(=O)CC5=CC=CC=C5)\C
InChI
InChI=1S/C46H55N3O13/c1-22-14-13-15-23(2)45(58)48-36-30(21-47-49-32(51)20-29-16-11-10-12-17-29)40(55)33-34(41(36)56)39(54)27(6)43-35(33)44(57)46(8,62-43)60-19-18-31(59-9)24(3)42(61-28(7)50)26(5)38(53)25(4)37(22)52/h10-19,21-22,24-26,31,37-38,42,52-56H,20H2,1-9H3,(H,48,58)(H,49,51)/b14-13+,19-18+,23-15+,47-21+
InChIKey
LVFKIDKGHGTMQB-JYZFURLOSA-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-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]-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

857.3735 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 858.38078 285.0
[M+Na]+ 880.36272 291.1
[M+NH4]+ 875.40732 288.4
[M+K]+ 896.33666 294.7
[M-H]- 856.36622 285.8
[M+Na-2H]- 878.34817 292.6
[M]+ 857.37295 287.3
[M]- 857.37405 287.3
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.