CID 86261302

1822332-44-4

Structural Information

Molecular Formula
C10H8N4O3S
SMILES
C1C(=O)N/C(=N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])/S1
InChI
InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-1-3-8(4-2-7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5+
InChIKey
CAWNRJMVCHPPDP-VZUCSPMQSA-N
Compound name
(2Z)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0317 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.038976 154.2
[M+Na]+ 287.020918 160.0
[M-H]- 263.024424 161.0
[M+NH4]+ 282.065523 170.4
[M+K]+ 302.994858 152.2
[M+H-H2O]+ 247.028960 150.6
[M+HCOO]- 309.029901 176.4
[M+CH3COO]- 323.045551 190.8
[M+Na-2H]- 285.006366 159.1
[M]+ 264.03115142 150.9
[M]- 264.03224858 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.