CID 118873

Nsc 167791

Structural Information

Molecular Formula
C20H25N3OS2
SMILES
CC(C)N(CCSC(=O)N1C2=C(N=CC=C2)SC3=CC=CC=C31)C(C)C
InChI
InChI=1S/C20H25N3OS2/c1-14(2)22(15(3)4)12-13-25-20(24)23-16-8-5-6-10-18(16)26-19-17(23)9-7-11-21-19/h5-11,14-15H,12-13H2,1-4H3
InChIKey
XBSQJHSLKXWQKP-UHFFFAOYSA-N
Compound name
S-[2-[di(propan-2-yl)amino]ethyl] pyrido[2,3-b][1,4]benzothiazine-5-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1439 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15118 184.2
[M+Na]+ 410.13312 195.3
[M+NH4]+ 405.17772 192.5
[M+K]+ 426.10706 185.0
[M-H]- 386.13662 187.2
[M+Na-2H]- 408.11857 188.8
[M]+ 387.14335 187.6
[M]- 387.14445 187.6
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.