CID 509348

Schembl7489045

Structural Information

Molecular Formula
C16H10Cl4N4OS
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC2=NN=C(S2)NCC3=CC(=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C16H10Cl4N4OS/c17-9-5-4-8(6-12(9)20)7-21-15-23-24-16(26-15)22-14(25)13-10(18)2-1-3-11(13)19/h1-6H,7H2,(H,21,23)(H,22,24,25)
InChIKey
WXGRNHNGZCXTIC-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-[(3,4-dichlorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

445.93295 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.94023 194.3
[M+Na]+ 468.92217 203.9
[M-H]- 444.92567 198.9
[M+NH4]+ 463.96677 204.2
[M+K]+ 484.89611 196.5
[M+H-H2O]+ 428.93021 187.2
[M+HCOO]- 490.93115 193.0
[M+CH3COO]- 504.94680 202.0
[M+Na-2H]- 466.90762 191.4
[M]+ 445.93240 198.8
[M]- 445.93350 198.8
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