CID 509374

Schembl7485325

Structural Information

Molecular Formula
C14H12Cl2N6OS
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC2=NN=C(S2)NCCC3=CN=CN3)Cl
InChI
InChI=1S/C14H12Cl2N6OS/c15-9-2-1-3-10(16)11(9)12(23)20-14-22-21-13(24-14)18-5-4-8-6-17-7-19-8/h1-3,6-7H,4-5H2,(H,17,19)(H,18,21)(H,20,22,23)
InChIKey
QNXFGHAXJPEGKH-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

382.01703 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.02431 180.8
[M+Na]+ 405.00625 191.3
[M-H]- 381.00975 185.6
[M+NH4]+ 400.05085 191.8
[M+K]+ 420.98019 183.6
[M+H-H2O]+ 365.01429 172.0
[M+HCOO]- 427.01523 189.6
[M+CH3COO]- 441.03088 190.5
[M+Na-2H]- 402.99170 180.5
[M]+ 382.01648 185.8
[M]- 382.01758 185.8
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

No patent data available for this compound.