CID 9579506

Ethanone, 1-phenyl-, (5-((2-chlorophenyl)amino)-1,3,4-thiadiazol-2-yl)hydrazone, (1e)-

Structural Information

Molecular Formula
C16H14ClN5S
SMILES
C/C(=N\NC1=NN=C(S1)NC2=CC=CC=C2Cl)/C3=CC=CC=C3
InChI
InChI=1S/C16H14ClN5S/c1-11(12-7-3-2-4-8-12)19-21-16-22-20-15(23-16)18-14-10-6-5-9-13(14)17/h2-10H,1H3,(H,18,20)(H,21,22)/b19-11+
InChIKey
RGLKTAFPPAFHQJ-YBFXNURJSA-N
Compound name
5-N-(2-chlorophenyl)-2-N-[(E)-1-phenylethylideneamino]-1,3,4-thiadiazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.06586 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07314 176.2
[M+Na]+ 366.05508 184.4
[M-H]- 342.05858 185.1
[M+NH4]+ 361.09968 189.7
[M+K]+ 382.02902 177.3
[M+H-H2O]+ 326.06312 166.7
[M+HCOO]- 388.06406 193.6
[M+CH3COO]- 402.07971 187.1
[M+Na-2H]- 364.04053 179.7
[M]+ 343.06531 179.1
[M]- 343.06641 179.1
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.