CID 5273485

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

Structural Information

Molecular Formula
C15H22N6O6
SMILES
CCNC(=O)N(C1=NC=NC2=C1N=CN2[C@H]3[C@]([C@@H]([C@H](O3)CO)O)(C)O)OC
InChI
InChI=1S/C15H22N6O6/c1-4-16-14(24)21(26-3)12-9-11(17-6-18-12)20(7-19-9)13-15(2,25)10(23)8(5-22)27-13/h6-8,10,13,22-23,25H,4-5H2,1-3H3,(H,16,24)/t8-,10-,13-,15-/m1/s1
InChIKey
VQRDQQMQBQXVKF-YWGZHDIYSA-N
Compound name
1-[9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]-3-ethyl-1-methoxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.1601 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16738 182.9
[M+Na]+ 405.14932 190.4
[M-H]- 381.15282 185.5
[M+NH4]+ 400.19392 192.9
[M+K]+ 421.12326 190.1
[M+H-H2O]+ 365.15736 175.2
[M+HCOO]- 427.15830 199.1
[M+CH3COO]- 441.17395 218.6
[M+Na-2H]- 403.13477 184.8
[M]+ 382.15955 188.0
[M]- 382.16065 188.0
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.