CID 2723826

P-dimethylaminobenzalrhodanine

Structural Information

Molecular Formula
C12H12N2OS2
SMILES
CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=S)S2
InChI
InChI=1S/C12H12N2OS2/c1-14(2)9-5-3-8(4-6-9)7-10-11(15)13-12(16)17-10/h3-7H,1-2H3,(H,13,15,16)
InChIKey
JJRVRELEASDUMY-UHFFFAOYSA-N
Compound name
5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

710
Patents

264.0391 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04638 157.6
[M+Na]+ 287.02832 166.1
[M-H]- 263.03182 163.1
[M+NH4]+ 282.07292 175.5
[M+K]+ 303.00226 160.1
[M+H-H2O]+ 247.03636 151.4
[M+HCOO]- 309.03730 169.2
[M+CH3COO]- 323.05295 195.5
[M+Na-2H]- 285.01377 154.8
[M]+ 264.03855 157.1
[M]- 264.03965 157.1
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