CID 3001608

3-methyl-4-[(1,3,4-oxadiazole-2(3h)-thione-5-yl)phenylhydrazone]-2-pyrazoline-5-one

Structural Information

Molecular Formula
C12H10N6O2S
SMILES
CC1=C(C(=O)NN1)N=NC2=CC=C(C=C2)C3=NNC(=S)O3
InChI
InChI=1S/C12H10N6O2S/c1-6-9(10(19)16-13-6)15-14-8-4-2-7(3-5-8)11-17-18-12(21)20-11/h2-5H,1H3,(H,18,21)(H2,13,16,19)
InChIKey
DZDZXZJDEXHKJP-UHFFFAOYSA-N
Compound name
5-methyl-4-[[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]diazenyl]-1,2-dihydropyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.0586 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06588 166.1
[M+Na]+ 325.04782 178.9
[M-H]- 301.05132 173.1
[M+NH4]+ 320.09242 178.0
[M+K]+ 341.02176 172.8
[M+H-H2O]+ 285.05586 157.8
[M+HCOO]- 347.05680 186.1
[M+CH3COO]- 361.07245 178.3
[M+Na-2H]- 323.03327 168.1
[M]+ 302.05805 169.1
[M]- 302.05915 169.1
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.