CID 3048173

D 297

Structural Information

Molecular Formula
C19H21N3OS2
SMILES
C1CCN(C1)CCCSC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C19H21N3OS2/c23-19(24-14-6-13-21-11-3-4-12-21)22-15-7-1-2-8-16(15)25-17-9-5-10-20-18(17)22/h1-2,5,7-10H,3-4,6,11-14H2
InChIKey
UNHFHBBMVOPCIL-UHFFFAOYSA-N
Compound name
S-(3-pyrrolidin-1-ylpropyl) pyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1126 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11988 180.2
[M+Na]+ 394.10182 192.7
[M+NH4]+ 389.14642 189.3
[M+K]+ 410.07576 182.3
[M-H]- 370.10532 184.0
[M+Na-2H]- 392.08727 185.4
[M]+ 371.11205 184.0
[M]- 371.11315 184.0
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.