CID 3004858

Nsc659979

Structural Information

Molecular Formula
C12H10N2O2S2
SMILES
CCOC1=C=C=C(C=C1)N=CC2=C(NC(=S)S2)O
InChI
InChI=1S/C12H10N2O2S2/c1-2-16-9-5-3-8(4-6-9)13-7-10-11(15)14-12(17)18-10/h3,5,7,15H,2H2,1H3,(H,14,17)
InChIKey
QZWAXNBAQKEVNT-UHFFFAOYSA-N
Compound name
5-[(4-ethoxycyclohexa-1,2,3,5-tetraen-1-yl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.01837 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02565 158.2
[M+Na]+ 301.00759 169.2
[M-H]- 277.01109 163.4
[M+NH4]+ 296.05219 175.1
[M+K]+ 316.98153 162.0
[M+H-H2O]+ 261.01563 151.8
[M+HCOO]- 323.01657 173.7
[M+CH3COO]- 337.03222 194.2
[M+Na-2H]- 298.99304 158.7
[M]+ 278.01782 162.4
[M]- 278.01892 162.4
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.