CID 3048470

63906-31-0

Structural Information

Molecular Formula
C21H27N3OS2
SMILES
CC(C)N(CC(C)SC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3)C(C)C
InChI
InChI=1S/C21H27N3OS2/c1-14(2)23(15(3)4)13-16(5)26-21(25)24-17-9-6-7-10-18(17)27-19-11-8-12-22-20(19)24/h6-12,14-16H,13H2,1-5H3
InChIKey
OCFMMVCMOCSKIS-UHFFFAOYSA-N
Compound name
S-[1-[di(propan-2-yl)amino]propan-2-yl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.15955 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16683 187.4
[M+Na]+ 424.14877 197.9
[M+NH4]+ 419.19337 195.4
[M+K]+ 440.12271 188.3
[M-H]- 400.15227 190.2
[M+Na-2H]- 422.13422 191.6
[M]+ 401.15900 190.6
[M]- 401.16010 190.6
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.