CID 3006682

Schembl1337726

Structural Information

Molecular Formula
C11H14N6O2
SMILES
C1/C(=C/N2C=NC3=C(N=C(N=C32)N)N)/C1(CO)CO
InChI
InChI=1S/C11H14N6O2/c12-8-7-9(16-10(13)15-8)17(5-14-7)2-6-1-11(6,3-18)4-19/h2,5,18-19H,1,3-4H2,(H4,12,13,15,16)/b6-2-
InChIKey
YZDFBHZWTFMZPF-KXFIGUGUSA-N
Compound name
[(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

262.11783 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12511 165.3
[M+Na]+ 285.10705 178.3
[M-H]- 261.11055 166.6
[M+NH4]+ 280.15165 175.1
[M+K]+ 301.08099 170.4
[M+H-H2O]+ 245.11509 158.4
[M+HCOO]- 307.11603 184.5
[M+CH3COO]- 321.13168 175.6
[M+Na-2H]- 283.09250 170.0
[M]+ 262.11728 167.3
[M]- 262.11838 167.3
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.