CID 3048461

D 253

Structural Information

Molecular Formula
C18H21N3OS2
SMILES
CCN(CC)CCSC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C18H21N3OS2/c1-3-20(4-2)12-13-23-18(22)21-14-8-5-6-9-15(14)24-16-10-7-11-19-17(16)21/h5-11H,3-4,12-13H2,1-2H3
InChIKey
VCJJTCXFRKZPCH-UHFFFAOYSA-N
Compound name
S-[2-(diethylamino)ethyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1126 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11988 177.6
[M+Na]+ 382.10182 184.2
[M-H]- 358.10532 180.0
[M+NH4]+ 377.14642 190.9
[M+K]+ 398.07576 178.4
[M+H-H2O]+ 342.10986 169.4
[M+HCOO]- 404.11080 185.1
[M+CH3COO]- 418.12645 186.4
[M+Na-2H]- 380.08727 180.8
[M]+ 359.11205 182.3
[M]- 359.11315 182.3
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.