CID 135461847

(3z)-5-chloro-3-[[3-(4-pyridyl)-5-sulfanyl-1,2,4-triazol-4-yl]imino]indolin-2-one

Structural Information

Molecular Formula
C15H9ClN6OS
SMILES
C1=CC2=C(C=C1Cl)/C(=N/N3C(=NNC3=S)C4=CC=NC=C4)/C(=O)N2
InChI
InChI=1S/C15H9ClN6OS/c16-9-1-2-11-10(7-9)12(14(23)18-11)21-22-13(19-20-15(22)24)8-3-5-17-6-4-8/h1-7H,(H,20,24)(H,18,21,23)
InChIKey
ILGKILOFBZLZSU-UHFFFAOYSA-N
Compound name
(3Z)-5-chloro-3-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.02472 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.03200 181.2
[M+Na]+ 379.01394 194.4
[M-H]- 355.01744 186.2
[M+NH4]+ 374.05854 192.9
[M+K]+ 394.98788 185.2
[M+H-H2O]+ 339.02198 172.6
[M+HCOO]- 401.02292 190.9
[M+CH3COO]- 415.03857 191.3
[M+Na-2H]- 376.99939 180.1
[M]+ 356.02417 183.1
[M]- 356.02527 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.