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 186.6
[M+Na]+ 409.06088 194.9
[M-H]- 385.06438 193.1
[M+NH4]+ 404.10548 195.8
[M+K]+ 425.03482 188.0
[M+H-H2O]+ 369.06892 175.8
[M+HCOO]- 431.06986 199.4
[M+CH3COO]- 445.08551 195.9
[M+Na-2H]- 407.04633 188.1
[M]+ 386.07111 191.2
[M]- 386.07221 191.2
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.