CID 162719

Alpha-ethylstreptozotocin

Structural Information

Molecular Formula
C10H19N3O7
SMILES
CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)N(C)N=O
InChI
InChI=1S/C10H19N3O7/c1-3-19-9-6(11-10(17)13(2)12-18)8(16)7(15)5(4-14)20-9/h5-9,14-16H,3-4H2,1-2H3,(H,11,17)/t5-,6-,7-,8-,9+/m1/s1
InChIKey
HLUJDFYRNNUNMY-OKNNCHMLSA-N
Compound name
3-[(2S,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1-methyl-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.1223 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12958 164.7
[M+Na]+ 316.11152 169.0
[M+NH4]+ 311.15612 167.5
[M+K]+ 332.08546 169.2
[M-H]- 292.11502 164.5
[M+Na-2H]- 314.09697 163.3
[M]+ 293.12175 164.3
[M]- 293.12285 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.