CID 135528651

St50422194

Structural Information

Molecular Formula
C15H10N6OS
SMILES
C1=CC=C2C(=C1)/C(=N/N3C(=NNC3=S)C4=CC=NC=C4)/C(=O)N2
InChI
InChI=1S/C15H10N6OS/c22-14-12(10-3-1-2-4-11(10)17-14)20-21-13(18-19-15(21)23)9-5-7-16-8-6-9/h1-8H,(H,19,23)(H,17,20,22)
InChIKey
ZFOLTRJRXRNCPJ-UHFFFAOYSA-N
Compound name
(3Z)-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

322.0637 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07098 173.0
[M+Na]+ 345.05292 185.1
[M-H]- 321.05642 178.0
[M+NH4]+ 340.09752 185.1
[M+K]+ 361.02686 176.8
[M+H-H2O]+ 305.06096 164.3
[M+HCOO]- 367.06190 187.6
[M+CH3COO]- 381.07755 183.5
[M+Na-2H]- 343.03837 173.4
[M]+ 322.06315 172.8
[M]- 322.06425 172.8
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.