CID 6482571

N'-[9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]purin-6-yl]methanesulfonohydrazide

Structural Information

Molecular Formula
C12H18N6O6S
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NNS(=O)(=O)C)CO)O)O
InChI
InChI=1S/C12H18N6O6S/c1-12(21)8(20)6(3-19)24-11(12)18-5-15-7-9(13-4-14-10(7)18)16-17-25(2,22)23/h4-6,8,11,17,19-21H,3H2,1-2H3,(H,13,14,16)/t6-,8-,11-,12-/m1/s1
InChIKey
KOXMKYDYEZEHQZ-YUTYNTIBSA-N
Compound name
N'-[9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]methanesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.10086 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10814 178.4
[M+Na]+ 397.09008 187.9
[M-H]- 373.09358 179.8
[M+NH4]+ 392.13468 188.8
[M+K]+ 413.06402 185.4
[M+H-H2O]+ 357.09812 173.1
[M+HCOO]- 419.09906 189.9
[M+CH3COO]- 433.11471 210.8
[M+Na-2H]- 395.07553 183.1
[M]+ 374.10031 183.2
[M]- 374.10141 183.2
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.