CID 1379463

Akos027467881

Structural Information

Molecular Formula
C12H13N3OS2
SMILES
CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)N
InChI
InChI=1S/C12H13N3OS2/c1-14(2)9-5-3-8(4-6-9)7-10-11(16)15(13)12(17)18-10/h3-7H,13H2,1-2H3/b10-7+
InChIKey
MJJWOSCRHBZMCX-JXMROGBWSA-N
Compound name
(5E)-3-amino-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.05002 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05730 161.5
[M+Na]+ 302.03924 170.2
[M-H]- 278.04274 167.9
[M+NH4]+ 297.08384 178.9
[M+K]+ 318.01318 164.3
[M+H-H2O]+ 262.04728 154.6
[M+HCOO]- 324.04822 174.6
[M+CH3COO]- 338.06387 203.5
[M+Na-2H]- 300.02469 158.2
[M]+ 279.04947 161.3
[M]- 279.05057 161.3
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.