CID 5271601

N2,n4-bis(2-chlorophenyl)-5-methyl-pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C17H14Cl2N4
SMILES
CC1=CN=C(N=C1NC2=CC=CC=C2Cl)NC3=CC=CC=C3Cl
InChI
InChI=1S/C17H14Cl2N4/c1-11-10-20-17(22-15-9-5-3-7-13(15)19)23-16(11)21-14-8-4-2-6-12(14)18/h2-10H,1H3,(H2,20,21,22,23)
InChIKey
UKHRZJFIVYKXPW-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.05954 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.066816 178.1
[M+Na]+ 367.048758 187.7
[M-H]- 343.052264 184.3
[M+NH4]+ 362.093363 189.4
[M+K]+ 383.022698 179.2
[M+H-H2O]+ 327.056800 168.2
[M+HCOO]- 389.057741 192.0
[M+CH3COO]- 403.073391 188.2
[M+Na-2H]- 365.034206 183.7
[M]+ 344.05899142 180.4
[M]- 344.06008858 180.4
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.