CID 100182

Pyrimidine, 2,2'-(2,6-dichlorobenzylidenediimino)di-

Structural Information

Molecular Formula
C15H12Cl2N6
SMILES
C1=CC(=C(C(=C1)Cl)C(NC2=NC=CC=N2)NC3=NC=CC=N3)Cl
InChI
InChI=1S/C15H12Cl2N6/c16-10-4-1-5-11(17)12(10)13(22-14-18-6-2-7-19-14)23-15-20-8-3-9-21-15/h1-9,13H,(H,18,19,22)(H,20,21,23)
InChIKey
NSQCLGIPARGNIJ-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-N,N'-di(pyrimidin-2-yl)methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.05005 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.05733 173.2
[M+Na]+ 369.03927 181.3
[M-H]- 345.04277 176.3
[M+NH4]+ 364.08387 180.9
[M+K]+ 385.01321 173.3
[M+H-H2O]+ 329.04731 161.4
[M+HCOO]- 391.04825 184.0
[M+CH3COO]- 405.06390 182.0
[M+Na-2H]- 367.02472 181.0
[M]+ 346.04950 174.2
[M]- 346.05060 174.2
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.