CID 509367

Schembl7480008

Structural Information

Molecular Formula
C15H12Cl2N4OS2
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC2=NN=C(S2)NCCC3=CC=CS3)Cl
InChI
InChI=1S/C15H12Cl2N4OS2/c16-10-4-1-5-11(17)12(10)13(22)19-15-21-20-14(24-15)18-7-6-9-3-2-8-23-9/h1-5,8H,6-7H2,(H,18,20)(H,19,21,22)
InChIKey
QMWAAIIQQVPFMH-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

397.98297 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.99025 186.2
[M+Na]+ 420.97219 197.4
[M-H]- 396.97569 194.7
[M+NH4]+ 416.01679 200.5
[M+K]+ 436.94613 189.4
[M+H-H2O]+ 380.98023 179.9
[M+HCOO]- 442.98117 193.6
[M+CH3COO]- 456.99682 196.8
[M+Na-2H]- 418.95764 184.4
[M]+ 397.98242 193.6
[M]- 397.98352 193.6
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