CID 5273503

9h-purine, 6-[[(ethylamino)carbonyl]hydroxyamino]-9-(2-c-methyl-.beta.-d-ribofuranosyl)-

Structural Information

Molecular Formula
C14H20N6O6
SMILES
CCNC(=O)N(C1=NC=NC2=C1N=CN2[C@H]3[C@]([C@@H]([C@H](O3)CO)O)(C)O)O
InChI
InChI=1S/C14H20N6O6/c1-3-15-13(23)20(25)11-8-10(16-5-17-11)19(6-18-8)12-14(2,24)9(22)7(4-21)26-12/h5-7,9,12,21-22,24-25H,3-4H2,1-2H3,(H,15,23)/t7-,9-,12-,14-/m1/s1
InChIKey
OMKJZLRJTREZGV-AMJCQUEASA-N
Compound name
1-[9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]-3-ethyl-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.14444 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15172 179.2
[M+Na]+ 391.13366 186.7
[M-H]- 367.13716 180.7
[M+NH4]+ 386.17826 189.1
[M+K]+ 407.10760 185.9
[M+H-H2O]+ 351.14170 171.9
[M+HCOO]- 413.14264 194.2
[M+CH3COO]- 427.15829 213.9
[M+Na-2H]- 389.11911 181.1
[M]+ 368.14389 182.2
[M]- 368.14499 182.2
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.