CID 3048195

D 231

Structural Information

Molecular Formula
C18H21N3O2S
SMILES
CCN(CC)CCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C18H21N3O2S/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
WEWBCGTZHVVHJG-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.13544 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.142716 178.5
[M+Na]+ 366.124658 184.8
[M-H]- 342.128164 181.5
[M+NH4]+ 361.169263 192.0
[M+K]+ 382.098598 180.8
[M+H-H2O]+ 326.132700 169.4
[M+HCOO]- 388.133641 191.6
[M+CH3COO]- 402.149291 216.0
[M+Na-2H]- 364.110106 182.7
[M]+ 343.13489142 183.6
[M]- 343.13598858 183.6
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.