CID 468587

2-amino-5-[1-(4-chlorophenyl)-2-phenylethyl]-4,6-dichloropyrimidine

Structural Information

Molecular Formula
C18H14Cl3N3
SMILES
C1=CC=C(C=C1)CC(C2=CC=C(C=C2)Cl)C3=C(N=C(N=C3Cl)N)Cl
InChI
InChI=1S/C18H14Cl3N3/c19-13-8-6-12(7-9-13)14(10-11-4-2-1-3-5-11)15-16(20)23-18(22)24-17(15)21/h1-9,14H,10H2,(H2,22,23,24)
InChIKey
LMKAEAADYBBRDK-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-[1-(4-chlorophenyl)-2-phenylethyl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.02533 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.03261 182.5
[M+Na]+ 400.01455 191.9
[M-H]- 376.01805 186.7
[M+NH4]+ 395.05915 192.5
[M+K]+ 415.98849 183.2
[M+H-H2O]+ 360.02259 173.1
[M+HCOO]- 422.02353 188.0
[M+CH3COO]- 436.03918 191.3
[M+Na-2H]- 398.00000 183.9
[M]+ 377.02478 184.6
[M]- 377.02588 184.6
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.