CID 3010191

115204-65-4

Structural Information

Molecular Formula
C14H12Cl3N5
SMILES
CN(C)C1=NC(=NC2=C1N=CN2CC3=CC(=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C14H12Cl3N5/c1-21(2)12-11-13(20-14(17)19-12)22(7-18-11)6-8-3-4-9(15)10(16)5-8/h3-5,7H,6H2,1-2H3
InChIKey
UXZRHGZAUJYLRH-UHFFFAOYSA-N
Compound name
2-chloro-9-[(3,4-dichlorophenyl)methyl]-N,N-dimethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.01584 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.02312 176.7
[M+Na]+ 378.00506 189.7
[M-H]- 354.00856 179.0
[M+NH4]+ 373.04966 189.1
[M+K]+ 393.97900 182.7
[M+H-H2O]+ 338.01310 166.5
[M+HCOO]- 400.01404 183.1
[M+CH3COO]- 414.02969 186.9
[M+Na-2H]- 375.99051 179.1
[M]+ 355.01529 183.8
[M]- 355.01639 183.8
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.