CID 5273967

[3-[(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-1,2,2-trimethyl-cyclopentyl]methanol

Structural Information

Molecular Formula
C14H23N7O
SMILES
CC1(C(CCC1(C)CO)CN2C3=NC(=NC(=C3N=N2)N)N)C
InChI
InChI=1S/C14H23N7O/c1-13(2)8(4-5-14(13,3)7-22)6-21-11-9(19-20-21)10(15)17-12(16)18-11/h8,22H,4-7H2,1-3H3,(H4,15,16,17,18)
InChIKey
GPSXTQMAWUOFEN-UHFFFAOYSA-N
Compound name
[3-[(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1964 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20368 168.7
[M+Na]+ 328.18562 179.9
[M-H]- 304.18912 169.9
[M+NH4]+ 323.23022 184.7
[M+K]+ 344.15956 174.9
[M+H-H2O]+ 288.19366 160.4
[M+HCOO]- 350.19460 186.3
[M+CH3COO]- 364.21025 179.3
[M+Na-2H]- 326.17107 171.3
[M]+ 305.19585 168.9
[M]- 305.19695 168.9
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.