CID 215504

Brn 1051573

Structural Information

Molecular Formula
C24H24N4OS2
SMILES
C1CN(CCN1CCSC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H24N4OS2/c29-24(28-20-9-4-5-10-21(20)31-22-11-6-12-25-23(22)28)30-18-17-26-13-15-27(16-14-26)19-7-2-1-3-8-19/h1-12H,13-18H2
InChIKey
LKBRXHQWCMOJHJ-UHFFFAOYSA-N
Compound name
S-[2-(4-phenylpiperazin-1-yl)ethyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.13916 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14644 198.0
[M+Na]+ 471.12838 203.8
[M-H]- 447.13188 201.4
[M+NH4]+ 466.17298 203.7
[M+K]+ 487.10232 194.8
[M+H-H2O]+ 431.13642 187.2
[M+HCOO]- 493.13736 199.0
[M+CH3COO]- 507.15301 203.5
[M+Na-2H]- 469.11383 200.0
[M]+ 448.13861 196.1
[M]- 448.13971 196.1
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.