CID 5273963

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

Structural Information

Molecular Formula
C14H21ClN6O
SMILES
CC1(C(CCC1(C)CO)CN2C3=C(C(=NC(=N3)N)Cl)N=N2)C
InChI
InChI=1S/C14H21ClN6O/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,(H2,16,17,18)
InChIKey
FQHDDZPXMCLEAZ-UHFFFAOYSA-N
Compound name
[3-[(5-amino-7-chlorotriazolo[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

324.14655 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15383 171.5
[M+Na]+ 347.13577 184.0
[M-H]- 323.13927 172.6
[M+NH4]+ 342.18037 188.0
[M+K]+ 363.10971 177.9
[M+H-H2O]+ 307.14381 163.1
[M+HCOO]- 369.14475 183.9
[M+CH3COO]- 383.16040 182.2
[M+Na-2H]- 345.12122 173.4
[M]+ 324.14600 174.6
[M]- 324.14710 174.6
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.