CID 490269

[(1r,3s)-3-(5,7-diamino-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)-2,2-dimethyl-cyclobutyl]-methanol

Structural Information

Molecular Formula
C12H19N7O
SMILES
CC1([C@H](C[C@H]1CO)CN2C3=NC(=NC(=C3N=N2)N)N)C
InChI
InChI=1S/C12H19N7O/c1-12(2)6(3-7(12)5-20)4-19-10-8(17-18-19)9(13)15-11(14)16-10/h6-7,20H,3-5H2,1-2H3,(H4,13,14,15,16)/t6-,7+/m1/s1
InChIKey
JGIZVPYPCWDHQQ-RQJHMYQMSA-N
Compound name
[(1R,3S)-3-[(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-2,2-dimethylcyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.1651 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17238 172.2
[M+Na]+ 300.15432 181.6
[M-H]- 276.15782 172.4
[M+NH4]+ 295.19892 179.1
[M+K]+ 316.12826 179.7
[M+H-H2O]+ 260.16236 157.7
[M+HCOO]- 322.16330 188.4
[M+CH3COO]- 336.17895 206.5
[M+Na-2H]- 298.13977 174.7
[M]+ 277.16455 180.7
[M]- 277.16565 180.7
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.