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 218.0
[M+Na]+ 521.20788 218.3
[M-H]- 497.21138 212.6
[M+NH4]+ 516.25248 218.5
[M+K]+ 537.18182 216.7
[M+H-H2O]+ 481.21592 201.1
[M+HCOO]- 543.21686 220.4
[M+CH3COO]- 557.23251 255.9
[M+Na-2H]- 519.19333 245.2
[M]+ 498.21811 240.2
[M]- 498.21921 240.2
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.