CID 122092

Mhzpa

Structural Information

Molecular Formula
C14H24N8O3
SMILES
CN(CCCNN)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C14H24N8O3/c1-21(4-2-3-20-16)5-8-10(23)11(24)14(25-8)22-7-19-9-12(15)17-6-18-13(9)22/h6-8,10-11,14,20,23-24H,2-5,16H2,1H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1
InChIKey
MYNRDUPGBPOWQT-IDTAVKCVSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-hydrazinylpropyl(methyl)amino]methyl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

53
Patents

352.19714 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20442 178.4
[M+Na]+ 375.18636 184.8
[M-H]- 351.18986 181.2
[M+NH4]+ 370.23096 187.5
[M+K]+ 391.16030 182.6
[M+H-H2O]+ 335.19440 168.9
[M+HCOO]- 397.19534 197.5
[M+CH3COO]- 411.21099 222.3
[M+Na-2H]- 373.17181 179.9
[M]+ 352.19659 178.6
[M]- 352.19769 178.6
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.