CID 24820413

(r)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5h)-one

Structural Information

Molecular Formula
C14H19ClN4O
SMILES
CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)Cl)C
InChI
InChI=1S/C14H19ClN4O/c1-3-10-13(20)18(2)11-8-16-14(15)17-12(11)19(10)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKey
RDOMCFLYXZACAX-SNVBAGLBSA-N
Compound name
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

294.12473 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13201 171.7
[M+Na]+ 317.11395 181.0
[M-H]- 293.11745 173.3
[M+NH4]+ 312.15855 185.6
[M+K]+ 333.08789 174.9
[M+H-H2O]+ 277.12199 161.8
[M+HCOO]- 339.12293 180.9
[M+CH3COO]- 353.13858 181.4
[M+Na-2H]- 315.09940 171.0
[M]+ 294.12418 170.9
[M]- 294.12528 170.9
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

patents stripe