CID 3060484

Mildiomycin m

Structural Information

Molecular Formula
C19H30N8O8
SMILES
CC1=CN(C(=O)N=C1N)C2C=CC(C(O2)C(CC(CN=C(N)N)O)(C(=O)O)O)NC(=O)C(CO)N
InChI
InChI=1S/C19H30N8O8/c1-8-6-27(18(33)26-14(8)21)12-3-2-11(25-15(30)10(20)7-28)13(35-12)19(34,16(31)32)4-9(29)5-24-17(22)23/h2-3,6,9-13,28-29,34H,4-5,7,20H2,1H3,(H,25,30)(H,31,32)(H2,21,26,33)(H4,22,23,24)
InChIKey
RXCXBCIOCUWGGD-UHFFFAOYSA-N
Compound name
2-[3-[(2-amino-3-hydroxypropanoyl)amino]-6-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-yl]-5-(diaminomethylideneamino)-2,4-dihydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.21866 Da
Monoisotopic Mass

-7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.22594 211.0
[M+Na]+ 521.20788 214.8
[M+NH4]+ 516.25248 214.3
[M+K]+ 537.18182 210.6
[M-H]- 497.21138 207.0
[M+Na-2H]- 519.19333 227.8
[M]+ 498.21811 212.1
[M]- 498.21921 212.1
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.