CID 5271659

4-chloro-n6-(3,5-dichlorophenyl)-1,2,3,4-tetrahydropyrimidine-2,6-diamine

Structural Information

Molecular Formula
C10H11Cl3N4
SMILES
C1=C(NC(NC1Cl)N)NC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C10H11Cl3N4/c11-5-1-6(12)3-7(2-5)15-9-4-8(13)16-10(14)17-9/h1-4,8,10,15-17H,14H2
InChIKey
STBMIKBZKWXXOW-UHFFFAOYSA-N
Compound name
4-chloro-6-N-(3,5-dichlorophenyl)-1,2,3,4-tetrahydropyrimidine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.00494 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01222 161.2
[M+Na]+ 314.99416 169.5
[M-H]- 290.99766 160.1
[M+NH4]+ 310.03876 173.5
[M+K]+ 330.96810 161.2
[M+H-H2O]+ 275.00220 155.2
[M+HCOO]- 337.00314 164.7
[M+CH3COO]- 351.01879 169.7
[M+Na-2H]- 312.97961 162.9
[M]+ 292.00439 156.2
[M]- 292.00549 156.2
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

No patent data available for this compound.