CID 488751

2,4-pyrimidinediamine, 6-[(2,6-dichlorophenyl)methyl]-n2-phenyl-

Structural Information

Molecular Formula
C17H14Cl2N4
SMILES
C1=CC=C(C=C1)NC2=NC(=CC(=N2)N)CC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H14Cl2N4/c18-14-7-4-8-15(19)13(14)9-12-10-16(20)23-17(22-12)21-11-5-2-1-3-6-11/h1-8,10H,9H2,(H3,20,21,22,23)
InChIKey
PBTVPOWWXWPZCD-UHFFFAOYSA-N
Compound name
6-[(2,6-dichlorophenyl)methyl]-2-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]+ 345.06682 178.4
[M+Na]+ 367.04876 188.1
[M-H]- 343.05226 184.2
[M+NH4]+ 362.09336 189.5
[M+K]+ 383.02270 179.3
[M+H-H2O]+ 327.05680 168.7
[M+HCOO]- 389.05774 191.8
[M+CH3COO]- 403.07339 188.3
[M+Na-2H]- 365.03421 183.0
[M]+ 344.05899 179.8
[M]- 344.06009 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.