CID 24783092

Schembl4264562

Structural Information

Molecular Formula
C14H15ClN6O2
SMILES
CC1=CN=C(C(=C1OC)C)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O
InChI
InChI=1S/C14H15ClN6O2/c1-6-4-17-8(7(2)10(6)23-3)5-21-12-9(18-14(21)22)11(15)19-13(16)20-12/h4H,5H2,1-3H3,(H,18,22)(H2,16,19,20)
InChIKey
DFSIZXZUYZJXGY-UHFFFAOYSA-N
Compound name
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

334.0945 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10178 178.9
[M+Na]+ 357.08372 193.3
[M-H]- 333.08722 180.4
[M+NH4]+ 352.12832 189.4
[M+K]+ 373.05766 185.5
[M+H-H2O]+ 317.09176 169.4
[M+HCOO]- 379.09270 192.9
[M+CH3COO]- 393.10835 189.5
[M+Na-2H]- 355.06917 181.1
[M]+ 334.09395 184.6
[M]- 334.09505 184.6
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.