CID 6482568

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

Structural Information

Molecular Formula
C13H18N6O5
SMILES
CC(=O)NNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@]([C@@H]([C@H](O3)CO)O)(C)O
InChI
InChI=1S/C13H18N6O5/c1-6(21)17-18-10-8-11(15-4-14-10)19(5-16-8)12-13(2,23)9(22)7(3-20)24-12/h4-5,7,9,12,20,22-23H,3H2,1-2H3,(H,17,21)(H,14,15,18)/t7-,9-,12-,13-/m1/s1
InChIKey
VBLUGGWVDTUDKN-NHULRPGXSA-N
Compound name
N'-[9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.13388 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14116 172.7
[M+Na]+ 361.12310 181.3
[M-H]- 337.12660 174.1
[M+NH4]+ 356.16770 183.9
[M+K]+ 377.09704 179.1
[M+H-H2O]+ 321.13114 165.3
[M+HCOO]- 383.13208 188.8
[M+CH3COO]- 397.14773 208.1
[M+Na-2H]- 359.10855 175.7
[M]+ 338.13333 174.6
[M]- 338.13443 174.6
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.