CID 509432

Schembl7488574

Structural Information

Molecular Formula
C15H11Cl2N5OS
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC2=NN=C(S2)NCC3=CN=CC=C3)Cl
InChI
InChI=1S/C15H11Cl2N5OS/c16-10-4-1-5-11(17)12(10)13(23)20-15-22-21-14(24-15)19-8-9-3-2-6-18-7-9/h1-7H,8H2,(H,19,21)(H,20,22,23)
InChIKey
JZIUVGDJGBYTJK-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

379.00613 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.01341 180.6
[M+Na]+ 401.99535 190.3
[M-H]- 377.99885 186.7
[M+NH4]+ 397.03995 191.6
[M+K]+ 417.96929 182.6
[M+H-H2O]+ 362.00339 171.7
[M+HCOO]- 424.00433 189.6
[M+CH3COO]- 438.01998 190.4
[M+Na-2H]- 399.98080 182.1
[M]+ 379.00558 185.2
[M]- 379.00668 185.2
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

patents stripe