CID 3010791

(1r)-1-[(1r,3r)-3-[2-(2-amino-6-chloro-purin-9-yl)ethyl]-2,2-dimethyl-cyclobutyl]ethanol

Structural Information

Molecular Formula
C15H22ClN5O
SMILES
C[C@H]([C@@H]1C[C@@H](C1(C)C)CCN2C=NC3=C2N=C(N=C3Cl)N)O
InChI
InChI=1S/C15H22ClN5O/c1-8(22)10-6-9(15(10,2)3)4-5-21-7-18-11-12(16)19-14(17)20-13(11)21/h7-10,22H,4-6H2,1-3H3,(H2,17,19,20)/t8-,9+,10+/m1/s1
InChIKey
YXLMTLQMPVUCFR-UTLUCORTSA-N
Compound name
(1R)-1-[(1R,3R)-3-[2-(2-amino-6-chloropurin-9-yl)ethyl]-2,2-dimethylcyclobutyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.15128 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15856 177.8
[M+Na]+ 346.14050 187.4
[M-H]- 322.14400 179.0
[M+NH4]+ 341.18510 185.6
[M+K]+ 362.11444 184.2
[M+H-H2O]+ 306.14854 164.6
[M+HCOO]- 368.14948 188.7
[M+CH3COO]- 382.16513 211.9
[M+Na-2H]- 344.12595 178.2
[M]+ 323.15073 189.6
[M]- 323.15183 189.6
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.