CID 135435102

108742-12-7

Structural Information

Molecular Formula
C10H14N6O4
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H]1N2C3=C(C(=O)NC(=N3)N)N=N2)O)O)CO
InChI
InChI=1S/C10H14N6O4/c11-10-12-8-5(9(20)13-10)14-15-16(8)4-1-3(2-17)6(18)7(4)19/h3-4,6-7,17-19H,1-2H2,(H3,11,12,13,20)/t3-,4-,6+,7+/m1/s1
InChIKey
GGBUCOMETKBUQY-SOWDYBQPSA-N
Compound name
5-amino-3-[(1R,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

282.10767 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11495 162.5
[M+Na]+ 305.09689 173.2
[M-H]- 281.10039 160.7
[M+NH4]+ 300.14149 173.7
[M+K]+ 321.07083 167.8
[M+H-H2O]+ 265.10493 154.8
[M+HCOO]- 327.10587 176.7
[M+CH3COO]- 341.12152 172.1
[M+Na-2H]- 303.08234 162.6
[M]+ 282.10712 160.5
[M]- 282.10822 160.5
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.