CID 24832516

((5-((2-methylphenyl)amino)-1,3,4-thiadiazol-2-yl)thio)acetic acid 2-phenylhydrazide

Structural Information

Molecular Formula
C17H17N5OS2
SMILES
CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NNC3=CC=CC=C3
InChI
InChI=1S/C17H17N5OS2/c1-12-7-5-6-10-14(12)18-16-21-22-17(25-16)24-11-15(23)20-19-13-8-3-2-4-9-13/h2-10,19H,11H2,1H3,(H,18,21)(H,20,23)
InChIKey
MJUKIZGRNCFKPY-UHFFFAOYSA-N
Compound name
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N'-phenylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.08746 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09474 178.4
[M+Na]+ 394.07668 189.0
[M+NH4]+ 389.12128 185.7
[M+K]+ 410.05062 180.3
[M-H]- 370.08018 184.7
[M+Na-2H]- 392.06213 187.4
[M]+ 371.08691 182.4
[M]- 371.08801 182.4
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.