CID 3008639

N2,n4-bis(2-chlorophenyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C16H12Cl2N4
SMILES
C1=CC=C(C(=C1)NC2=NC(=NC=C2)NC3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C16H12Cl2N4/c17-11-5-1-3-7-13(11)20-15-9-10-19-16(22-15)21-14-8-4-2-6-12(14)18/h1-10H,(H2,19,20,21,22)
InChIKey
MDJGBSRNMRXREW-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(2-chlorophenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.0439 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.05118 172.6
[M+Na]+ 353.03312 181.7
[M-H]- 329.03662 178.6
[M+NH4]+ 348.07772 184.1
[M+K]+ 369.00706 173.4
[M+H-H2O]+ 313.04116 162.7
[M+HCOO]- 375.04210 186.9
[M+CH3COO]- 389.05775 182.9
[M+Na-2H]- 351.01857 179.5
[M]+ 330.04335 174.2
[M]- 330.04445 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.