CID 488752

2,4-pyrimidinediamine, 6-[(2,6-dichlorophenyl)methyl]-n4-phenyl-

Structural Information

Molecular Formula
C17H14Cl2N4
SMILES
C1=CC=C(C=C1)NC2=NC(=NC(=C2)CC3=C(C=CC=C3Cl)Cl)N
InChI
InChI=1S/C17H14Cl2N4/c18-14-7-4-8-15(19)13(14)9-12-10-16(23-17(20)22-12)21-11-5-2-1-3-6-11/h1-8,10H,9H2,(H3,20,21,22,23)
InChIKey
DBVUODXJXAWMBV-UHFFFAOYSA-N
Compound name
6-[(2,6-dichlorophenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.05954 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.066816 178.4
[M+Na]+ 367.048758 188.1
[M-H]- 343.052264 184.2
[M+NH4]+ 362.093363 189.5
[M+K]+ 383.022698 179.3
[M+H-H2O]+ 327.056800 168.7
[M+HCOO]- 389.057741 191.8
[M+CH3COO]- 403.073391 188.3
[M+Na-2H]- 365.034206 183.0
[M]+ 344.05899142 179.8
[M]- 344.06008858 179.8
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.