CID 3965113

[3-[(2-amino-6-chloro-purin-9-yl)methyl]-1,2,2-trimethyl-cyclopentyl]methanol

Structural Information

Molecular Formula
C15H22ClN5O
SMILES
CC1(C(CCC1(C)CO)CN2C=NC3=C2N=C(N=C3Cl)N)C
InChI
InChI=1S/C15H22ClN5O/c1-14(2)9(4-5-15(14,3)7-22)6-21-8-18-10-11(16)19-13(17)20-12(10)21/h8-9,22H,4-7H2,1-3H3,(H2,17,19,20)
InChIKey
OMDWVCNJBDBBFF-UHFFFAOYSA-N
Compound name
[3-[(2-amino-6-chloropurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 172.1
[M+Na]+ 346.14050 184.3
[M-H]- 322.14400 174.3
[M+NH4]+ 341.18510 190.1
[M+K]+ 362.11444 177.9
[M+H-H2O]+ 306.14854 164.4
[M+HCOO]- 368.14948 185.5
[M+CH3COO]- 382.16513 183.1
[M+Na-2H]- 344.12595 173.6
[M]+ 323.15073 175.1
[M]- 323.15183 175.1
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.