CID 3048520

D 234

Structural Information

Molecular Formula
C18H19N3O3S
SMILES
C1COCCN1CCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C18H19N3O3S/c22-18(24-13-10-20-8-11-23-12-9-20)21-14-4-1-2-5-15(14)25-16-6-3-7-19-17(16)21/h1-7H,8-13H2
InChIKey
JZKDAHULFQZVME-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.11472 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12200 179.3
[M+Na]+ 380.10394 184.8
[M-H]- 356.10744 182.6
[M+NH4]+ 375.14854 188.4
[M+K]+ 396.07788 181.0
[M+H-H2O]+ 340.11198 168.9
[M+HCOO]- 402.11292 186.3
[M+CH3COO]- 416.12857 187.3
[M+Na-2H]- 378.08939 183.4
[M]+ 357.11417 179.3
[M]- 357.11527 179.3
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.