CID 490273

(1s)-1-[(1r,3s)-3-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-1,2,2-trimethyl-cyclobutyl]ethanol

Structural Information

Molecular Formula
C14H22N6O
SMILES
C[C@@H]([C@@]1(C[C@@H](C1(C)C)CN2C3=NC=NC(=C3N=N2)N)C)O
InChI
InChI=1S/C14H22N6O/c1-8(21)14(4)5-9(13(14,2)3)6-20-12-10(18-19-20)11(15)16-7-17-12/h7-9,21H,5-6H2,1-4H3,(H2,15,16,17)/t8-,9+,14-/m0/s1
InChIKey
IYBXAVSHUGAJAR-QIBSRJKCSA-N
Compound name
(1S)-1-[(1R,3S)-3-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-1,2,2-trimethylcyclobutyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.18552 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19280 175.7
[M+Na]+ 313.17474 185.1
[M-H]- 289.17824 176.3
[M+NH4]+ 308.21934 184.4
[M+K]+ 329.14868 183.6
[M+H-H2O]+ 273.18278 162.3
[M+HCOO]- 335.18372 190.1
[M+CH3COO]- 349.19937 207.0
[M+Na-2H]- 311.16019 178.4
[M]+ 290.18497 185.9
[M]- 290.18607 185.9
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

No patent data available for this compound.