CID 3060482

78162-87-5

Structural Information

Molecular Formula
C18H28N8O8
SMILES
C1=CC(OC(C1NC(=O)C(CO)N)C(CC(CN=C(N)N)O)(C(=O)O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C18H28N8O8/c19-9(7-27)14(29)24-10-1-2-12(26-4-3-11(20)25-17(26)32)34-13(10)18(33,15(30)31)5-8(28)6-23-16(21)22/h1-4,8-10,12-13,27-28,33H,5-7,19H2,(H,24,29)(H,30,31)(H2,20,25,32)(H4,21,22,23)
InChIKey
HNOHJRMHJUPCHB-UHFFFAOYSA-N
Compound name
2-[3-[(2-amino-3-hydroxypropanoyl)amino]-6-(4-amino-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

484.203 Da
Monoisotopic Mass

-7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.21028 208.4
[M+Na]+ 507.19222 212.2
[M+NH4]+ 502.23682 211.7
[M+K]+ 523.16616 208.0
[M-H]- 483.19572 204.4
[M+Na-2H]- 505.17767 225.0
[M]+ 484.20245 209.5
[M]- 484.20355 209.5
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.