CID 488750

6-[(2,6-dichlorophenyl)methyl]-n4-(p-tolyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C18H16Cl2N4
SMILES
CC1=CC=C(C=C1)NC2=NC(=NC(=C2)CC3=C(C=CC=C3Cl)Cl)N
InChI
InChI=1S/C18H16Cl2N4/c1-11-5-7-12(8-6-11)22-17-10-13(23-18(21)24-17)9-14-15(19)3-2-4-16(14)20/h2-8,10H,9H2,1H3,(H3,21,22,23,24)
InChIKey
TVGPMKWRUCLFPD-UHFFFAOYSA-N
Compound name
6-[(2,6-dichlorophenyl)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0752 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.08248 183.9
[M+Na]+ 381.06442 194.0
[M-H]- 357.06792 189.9
[M+NH4]+ 376.10902 194.7
[M+K]+ 397.03836 185.1
[M+H-H2O]+ 341.07246 174.1
[M+HCOO]- 403.07340 196.9
[M+CH3COO]- 417.08905 193.7
[M+Na-2H]- 379.04987 187.1
[M]+ 358.07465 186.0
[M]- 358.07575 186.0
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.