CID 5751613

73855-55-7

Structural Information

Molecular Formula
C12H10N2O2S2
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2
InChI
InChI=1S/C12H10N2O2S2/c1-7(15)13-9-4-2-8(3-5-9)6-10-11(16)14-12(17)18-10/h2-6H,1H3,(H,13,15)(H,14,16,17)/b10-6+
InChIKey
JOYWUPKLLQWEGW-UXBLZVDNSA-N
Compound name
N-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

278.01837 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02565 161.0
[M+Na]+ 301.00759 169.1
[M-H]- 277.01109 165.0
[M+NH4]+ 296.05219 177.4
[M+K]+ 316.98153 162.1
[M+H-H2O]+ 261.01563 155.0
[M+HCOO]- 323.01657 171.5
[M+CH3COO]- 337.03222 193.8
[M+Na-2H]- 298.99304 158.1
[M]+ 278.01782 159.2
[M]- 278.01892 159.2
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

patents stripe