CID 488764

6-(2,6-dichlorophenoxy)-2-[(2,6-dichlorophenyl)methyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C17H11Cl4N3O
SMILES
C1=CC(=C(C(=C1)Cl)CC2=NC(=CC(=N2)OC3=C(C=CC=C3Cl)Cl)N)Cl
InChI
InChI=1S/C17H11Cl4N3O/c18-10-3-1-4-11(19)9(10)7-15-23-14(22)8-16(24-15)25-17-12(20)5-2-6-13(17)21/h1-6,8H,7H2,(H2,22,23,24)
InChIKey
HHDMTIUABYGZLR-UHFFFAOYSA-N
Compound name
6-(2,6-dichlorophenoxy)-2-[(2,6-dichlorophenyl)methyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.96564 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.97292 187.2
[M+Na]+ 435.95486 198.1
[M-H]- 411.95836 190.2
[M+NH4]+ 430.99946 196.1
[M+K]+ 451.92880 190.4
[M+H-H2O]+ 395.96290 178.4
[M+HCOO]- 457.96384 188.4
[M+CH3COO]- 471.97949 195.3
[M+Na-2H]- 433.94031 187.3
[M]+ 412.96509 190.8
[M]- 412.96619 190.8
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.