CID 516682

Chembl174223

Structural Information

Molecular Formula
C11H11Cl2N5
SMILES
C1=CC(=C(C=C1CNC2=CN=C(N=C2N)N)Cl)Cl
InChI
InChI=1S/C11H11Cl2N5/c12-7-2-1-6(3-8(7)13)4-16-9-5-17-11(15)18-10(9)14/h1-3,5,16H,4H2,(H4,14,15,17,18)
InChIKey
GXWGFUPELLJKLO-UHFFFAOYSA-N
Compound name
5-N-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4,5-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.03915 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04643 162.1
[M+Na]+ 306.02837 172.2
[M-H]- 282.03187 165.1
[M+NH4]+ 301.07297 175.7
[M+K]+ 322.00231 165.0
[M+H-H2O]+ 266.03641 154.5
[M+HCOO]- 328.03735 176.8
[M+CH3COO]- 342.05300 173.0
[M+Na-2H]- 304.01382 166.7
[M]+ 283.03860 162.0
[M]- 283.03970 162.0
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.