CID 3048169

2-(diisopropylamino)ethyl 8-fluoro-1-azaphenothiazine-10-thiolcarboxylate maleate

Structural Information

Molecular Formula
C20H24FN3OS2
SMILES
CC(C)N(CCSC(=O)N1C2=C(C=CC(=C2)F)SC3=C1N=CC=C3)C(C)C
InChI
InChI=1S/C20H24FN3OS2/c1-13(2)23(14(3)4)10-11-26-20(25)24-16-12-15(21)7-8-17(16)27-18-6-5-9-22-19(18)24/h5-9,12-14H,10-11H2,1-4H3
InChIKey
DIALXUYXGIVTCD-UHFFFAOYSA-N
Compound name
S-[2-[di(propan-2-yl)amino]ethyl] 8-fluoropyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.1345 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14178 188.3
[M+Na]+ 428.12372 193.7
[M-H]- 404.12722 189.1
[M+NH4]+ 423.16832 199.5
[M+K]+ 444.09766 188.3
[M+H-H2O]+ 388.13176 179.3
[M+HCOO]- 450.13270 191.8
[M+CH3COO]- 464.14835 229.1
[M+Na-2H]- 426.10917 187.7
[M]+ 405.13395 192.0
[M]- 405.13505 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.