CID 488744

N4-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C17H13Cl3N4
SMILES
C1=CC(=C(C(=C1)Cl)CC2=CC(=NC(=N2)N)NC3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H13Cl3N4/c18-10-4-6-11(7-5-10)22-16-9-12(23-17(21)24-16)8-13-14(19)2-1-3-15(13)20/h1-7,9H,8H2,(H3,21,22,23,24)
InChIKey
YVLDZEQQJBTNSG-UHFFFAOYSA-N
Compound name
4-N-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.02057 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.02785 184.4
[M+Na]+ 401.00979 194.6
[M-H]- 377.01329 188.9
[M+NH4]+ 396.05439 194.4
[M+K]+ 416.98373 185.7
[M+H-H2O]+ 361.01783 175.1
[M+HCOO]- 423.01877 192.1
[M+CH3COO]- 437.03442 193.3
[M+Na-2H]- 398.99524 187.0
[M]+ 378.02002 186.5
[M]- 378.02112 186.5
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.