CID 9669415

2-((4-cl-phenyl)thio)-n'-(1-(3-(1h-tetraazol-1-yl)ph)ethylidene)acetohydrazide

Structural Information

Molecular Formula
C17H15ClN6OS
SMILES
C/C(=N\NC(=O)CSC1=CC=C(C=C1)Cl)/C2=CC(=CC=C2)N3C=NN=N3
InChI
InChI=1S/C17H15ClN6OS/c1-12(13-3-2-4-15(9-13)24-11-19-22-23-24)20-21-17(25)10-26-16-7-5-14(18)6-8-16/h2-9,11H,10H2,1H3,(H,21,25)/b20-12+
InChIKey
FZOAHQGVWUXAMC-UDWIEESQSA-N
Compound name
2-(4-chlorophenyl)sulfanyl-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.07166 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.07894 185.2
[M+Na]+ 409.06088 198.5
[M+NH4]+ 404.10548 191.4
[M+K]+ 425.03482 191.1
[M-H]- 385.06438 189.7
[M+Na-2H]- 407.04633 194.4
[M]+ 386.07111 188.9
[M]- 386.07221 188.9
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.