CID 100181

Pyrimidine, 2,2'-(o-chlorobenzylidenediimino)di-

Structural Information

Molecular Formula
C15H13ClN6
SMILES
C1=CC=C(C(=C1)C(NC2=NC=CC=N2)NC3=NC=CC=N3)Cl
InChI
InChI=1S/C15H13ClN6/c16-12-6-2-1-5-11(12)13(21-14-17-7-3-8-18-14)22-15-19-9-4-10-20-15/h1-10,13H,(H,17,18,21)(H,19,20,22)
InChIKey
KSFDBUHAYBQMJP-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-N,N'-di(pyrimidin-2-yl)methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.08902 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09630 167.7
[M+Na]+ 335.07824 174.7
[M-H]- 311.08174 171.5
[M+NH4]+ 330.12284 176.0
[M+K]+ 351.05218 167.5
[M+H-H2O]+ 295.08628 155.7
[M+HCOO]- 357.08722 183.8
[M+CH3COO]- 371.10287 177.0
[M+Na-2H]- 333.06369 177.3
[M]+ 312.08847 167.0
[M]- 312.08957 167.0
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.