CID 509377

Schembl7487317

Structural Information

Molecular Formula
C16H13N5OS2
SMILES
C1=CSC(=C1)CCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C16H13N5OS2/c17-10-11-3-5-12(6-4-11)14(22)19-16-21-20-15(24-16)18-8-7-13-2-1-9-23-13/h1-6,9H,7-8H2,(H,18,20)(H,19,21,22)
InChIKey
HQZYQBVJTSIKLI-UHFFFAOYSA-N
Compound name
4-cyano-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

5
Patents

355.05615 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.06343 189.8
[M+Na]+ 378.04537 201.2
[M-H]- 354.04887 196.3
[M+NH4]+ 373.08997 202.3
[M+K]+ 394.01931 194.4
[M+H-H2O]+ 338.05341 174.8
[M+HCOO]- 400.05435 202.4
[M+CH3COO]- 414.07000 198.5
[M+Na-2H]- 376.03082 188.5
[M]+ 355.05560 188.3
[M]- 355.05670 188.3
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