CID 468296

Schembl9209168

Structural Information

Molecular Formula
C12H16N6O
SMILES
CNC1=C2C(=NC(=N1)N)N(C=N2)[C@@H]3C[C@@H](C=C3)CO
InChI
InChI=1S/C12H16N6O/c1-14-10-9-11(17-12(13)16-10)18(6-15-9)8-3-2-7(4-8)5-19/h2-3,6-8,19H,4-5H2,1H3,(H3,13,14,16,17)/t7-,8+/m1/s1
InChIKey
PXWWRDLJRKWJJN-SFYZADRCSA-N
Compound name
[(1S,4R)-4-[2-amino-6-(methylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

260.13855 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14583 156.8
[M+Na]+ 283.12777 166.9
[M-H]- 259.13127 159.4
[M+NH4]+ 278.17237 171.9
[M+K]+ 299.10171 162.1
[M+H-H2O]+ 243.13581 147.9
[M+HCOO]- 305.13675 178.3
[M+CH3COO]- 319.15240 168.4
[M+Na-2H]- 281.11322 160.5
[M]+ 260.13800 156.9
[M]- 260.13910 156.9
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

patents stripe