CID 391473

Nsc690678

Structural Information

Molecular Formula
C19H19N3OS2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=S)CC3=CC4=C(C=C3)NC(=O)S4
InChI
InChI=1S/C19H19N3OS2/c23-19-20-16-7-6-14(12-17(16)25-19)13-18(24)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,23)
InChIKey
FUOCEEAFEGERRU-UHFFFAOYSA-N
Compound name
6-[2-(4-phenylpiperazin-1-yl)-2-sulfanylideneethyl]-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.09695 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.10423 181.8
[M+Na]+ 392.08617 190.9
[M-H]- 368.08967 187.0
[M+NH4]+ 387.13077 193.3
[M+K]+ 408.06011 182.2
[M+H-H2O]+ 352.09421 174.2
[M+HCOO]- 414.09515 188.3
[M+CH3COO]- 428.11080 190.6
[M+Na-2H]- 390.07162 180.6
[M]+ 369.09640 181.0
[M]- 369.09750 181.0
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.