CID 215157

35107-86-9

Structural Information

Molecular Formula
C13H11ClN4S2
SMILES
C1=CC=C(C(=C1)C(NC2=NC=CS2)NC3=NC=CS3)Cl
InChI
InChI=1S/C13H11ClN4S2/c14-10-4-2-1-3-9(10)11(17-12-15-5-7-19-12)18-13-16-6-8-20-13/h1-8,11H,(H,15,17)(H,16,18)
InChIKey
WTZRJVKVLMUZMK-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-N,N'-bis(1,3-thiazol-2-yl)methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.01135 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01863 166.1
[M+Na]+ 345.00057 176.8
[M-H]- 321.00407 174.8
[M+NH4]+ 340.04517 182.7
[M+K]+ 360.97451 169.9
[M+H-H2O]+ 305.00861 159.3
[M+HCOO]- 367.00955 179.0
[M+CH3COO]- 381.02520 178.1
[M+Na-2H]- 342.98602 167.2
[M]+ 322.01080 170.7
[M]- 322.01190 170.7
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.