CID 135493479

Ethyl (2z)-3-oxo-2-[[4-(2-thioxo-3h-1,3,4-oxadiazol-5-yl)phenyl]hydrazono]butanoate

Structural Information

Molecular Formula
C14H14N4O4S
SMILES
CCOC(=O)/C(=C(\C)/O)/N=NC1=CC=C(C=C1)C2=NNC(=S)O2
InChI
InChI=1S/C14H14N4O4S/c1-3-21-13(20)11(8(2)19)16-15-10-6-4-9(5-7-10)12-17-18-14(23)22-12/h4-7,19H,3H2,1-2H3,(H,18,23)/b11-8-,16-15?
InChIKey
JCDWQEGQUWGHMQ-QDRWWEQJSA-N
Compound name
ethyl (Z)-3-hydroxy-2-[[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]diazenyl]but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.07358 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08086 177.0
[M+Na]+ 357.06280 183.8
[M-H]- 333.06630 182.4
[M+NH4]+ 352.10740 188.1
[M+K]+ 373.03674 181.1
[M+H-H2O]+ 317.07084 168.3
[M+HCOO]- 379.07178 194.1
[M+CH3COO]- 393.08743 209.4
[M+Na-2H]- 355.04825 177.0
[M]+ 334.07303 180.7
[M]- 334.07413 180.7
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.