CID 3002906

(4e)-2-(4-methoxyphenyl)-5-methyl-4-[[4-(2-thioxo-3h-1,3,4-oxadiazol-5-yl)phenyl]hydrazono]pyrazol-3-one

Structural Information

Molecular Formula
C19H16N6O3S
SMILES
CC1=C(C(=O)N(N1)C2=CC=C(C=C2)OC)N=NC3=CC=C(C=C3)C4=NNC(=S)O4
InChI
InChI=1S/C19H16N6O3S/c1-11-16(18(26)25(24-11)14-7-9-15(27-2)10-8-14)21-20-13-5-3-12(4-6-13)17-22-23-19(29)28-17/h3-10,24H,1-2H3,(H,23,29)
InChIKey
WSLFUXQEHOQYKY-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-methyl-4-[[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]diazenyl]-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.10046 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.10774 195.4
[M+Na]+ 431.08968 208.1
[M-H]- 407.09318 207.0
[M+NH4]+ 426.13428 203.5
[M+K]+ 447.06362 201.5
[M+H-H2O]+ 391.09772 185.8
[M+HCOO]- 453.09866 215.9
[M+CH3COO]- 467.11431 206.4
[M+Na-2H]- 429.07513 195.4
[M]+ 408.09991 202.1
[M]- 408.10101 202.1
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.