CID 118875

35805-99-3

Structural Information

Molecular Formula
C20H24N4O2S2
SMILES
C1CN(CCN1CCO)CCSC(=O)N2C3=C(N=CC=C3)SC4=CC=CC=C42
InChI
InChI=1S/C20H24N4O2S2/c25-14-12-22-8-10-23(11-9-22)13-15-27-20(26)24-16-4-1-2-6-18(16)28-19-17(24)5-3-7-21-19/h1-7,25H,8-15H2
InChIKey
ZSDUOFHWZNTXBE-UHFFFAOYSA-N
Compound name
S-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl] pyrido[2,3-b][1,4]benzothiazine-5-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.13406 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.14134 190.0
[M+Na]+ 439.12328 202.3
[M+NH4]+ 434.16788 197.3
[M+K]+ 455.09722 191.1
[M-H]- 415.12678 192.7
[M+Na-2H]- 437.10873 194.5
[M]+ 416.13351 193.4
[M]- 416.13461 193.4
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.