CID 215503

Brn 1030676

Structural Information

Molecular Formula
C16H15N3O2S2
SMILES
CC(=O)NCCSC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C16H15N3O2S2/c1-11(20)17-9-10-22-16(21)19-12-5-2-3-6-13(12)23-14-7-4-8-18-15(14)19/h2-8H,9-10H2,1H3,(H,17,20)
InChIKey
QOEVWPSJLBFFFO-UHFFFAOYSA-N
Compound name
S-(2-acetamidoethyl) pyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.06058 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.06786 171.7
[M+Na]+ 368.04980 178.8
[M-H]- 344.05330 173.1
[M+NH4]+ 363.09440 184.7
[M+K]+ 384.02374 172.6
[M+H-H2O]+ 328.05784 164.3
[M+HCOO]- 390.05878 178.8
[M+CH3COO]- 404.07443 180.6
[M+Na-2H]- 366.03525 175.8
[M]+ 345.06003 174.7
[M]- 345.06113 174.7
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.