CID 88271

19825-16-2

Structural Information

Molecular Formula
C20H24ClN3OS2
SMILES
CC(C)N(CCSC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=N3)Cl)C(C)C
InChI
InChI=1S/C20H24ClN3OS2/c1-13(2)23(14(3)4)9-10-26-20(25)24-16-7-5-6-8-18(16)27-19-17(24)11-15(21)12-22-19/h5-8,11-14H,9-10H2,1-4H3
InChIKey
GCBRVZXNPMGIPO-UHFFFAOYSA-N
Compound name
S-[2-[di(propan-2-yl)amino]ethyl] 3-chloropyrido[2,3-b][1,4]benzothiazine-5-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.10492 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11220 189.6
[M+Na]+ 444.09414 195.5
[M-H]- 420.09764 192.0
[M+NH4]+ 439.13874 201.3
[M+K]+ 460.06808 189.7
[M+H-H2O]+ 404.10218 182.6
[M+HCOO]- 466.10312 189.8
[M+CH3COO]- 480.11877 229.9
[M+Na-2H]- 442.07959 189.4
[M]+ 421.10437 196.4
[M]- 421.10547 196.4
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.