CID 488801

Chembl4293640

Structural Information

Molecular Formula
C19H19ClN4
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C19H19ClN4/c1-12-10-13(2)18(14(3)11-12)23-17-8-9-21-19(24-17)22-16-6-4-15(20)5-7-16/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKey
UKMJJMHWYKEQMZ-UHFFFAOYSA-N
Compound name
2-N-(4-chlorophenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

338.12982 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13710 182.3
[M+Na]+ 361.11904 191.7
[M-H]- 337.12254 189.6
[M+NH4]+ 356.16364 193.7
[M+K]+ 377.09298 183.7
[M+H-H2O]+ 321.12708 171.8
[M+HCOO]- 383.12802 200.8
[M+CH3COO]- 397.14367 192.7
[M+Na-2H]- 359.10449 186.8
[M]+ 338.12927 184.3
[M]- 338.13037 184.3
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

patents stripe