CID 488760

2,4-pyrimidinediamine, 6-[(2,6-dichlorophenyl)methyl]-5-methyl-n4-(4-methylphenyl)-

Structural Information

Molecular Formula
C19H18Cl2N4
SMILES
CC1=CC=C(C=C1)NC2=NC(=NC(=C2C)CC3=C(C=CC=C3Cl)Cl)N
InChI
InChI=1S/C19H18Cl2N4/c1-11-6-8-13(9-7-11)23-18-12(2)17(24-19(22)25-18)10-14-15(20)4-3-5-16(14)21/h3-9H,10H2,1-2H3,(H3,22,23,24,25)
InChIKey
ORHVVCLINLHREI-UHFFFAOYSA-N
Compound name
6-[(2,6-dichlorophenyl)methyl]-5-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.09085 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09813 189.3
[M+Na]+ 395.08007 199.8
[M-H]- 371.08357 195.5
[M+NH4]+ 390.12467 199.8
[M+K]+ 411.05401 190.8
[M+H-H2O]+ 355.08811 179.5
[M+HCOO]- 417.08905 201.9
[M+CH3COO]- 431.10470 198.9
[M+Na-2H]- 393.06552 191.1
[M]+ 372.09030 192.1
[M]- 372.09140 192.1
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.