CID 3048459

10h-pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, s-(2-dibutylaminoethyl) ester, hydrochloride

Structural Information

Molecular Formula
C22H29N3OS2
SMILES
CCCCN(CCCC)CCSC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C22H29N3OS2/c1-3-5-14-24(15-6-4-2)16-17-27-22(26)25-18-10-7-8-11-19(18)28-20-12-9-13-23-21(20)25/h7-13H,3-6,14-17H2,1-2H3
InChIKey
VMQNLIHWHAXJDN-UHFFFAOYSA-N
Compound name
S-[2-(dibutylamino)ethyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1752 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18248 193.8
[M+Na]+ 438.16442 205.3
[M+NH4]+ 433.20902 202.0
[M+K]+ 454.13836 192.8
[M-H]- 414.16792 197.2
[M+Na-2H]- 436.14987 198.4
[M]+ 415.17465 197.4
[M]- 415.17575 197.4
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.