CID 107455

3698-10-0

Structural Information

Molecular Formula
C15H18N2OS2
SMILES
CCCN1C(=O)C(=CC2=CC=C(C=C2)N(C)C)SC1=S
InChI
InChI=1S/C15H18N2OS2/c1-4-9-17-14(18)13(20-15(17)19)10-11-5-7-12(8-6-11)16(2)3/h5-8,10H,4,9H2,1-3H3
InChIKey
GPYZUAGEWSHVQW-UHFFFAOYSA-N
Compound name
5-[[4-(dimethylamino)phenyl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.08606 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09334 169.7
[M+Na]+ 329.07528 178.1
[M-H]- 305.07878 176.4
[M+NH4]+ 324.11988 186.8
[M+K]+ 345.04922 172.3
[M+H-H2O]+ 289.08332 162.8
[M+HCOO]- 351.08426 181.7
[M+CH3COO]- 365.09991 208.0
[M+Na-2H]- 327.06073 165.3
[M]+ 306.08551 172.3
[M]- 306.08661 172.3
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

patents stripe