CID 216491

37386-66-6

Structural Information

Molecular Formula
C16H22N2O2S
SMILES
CCOC(=O)C1=CN(C2=CC=CC=C2S1)CCCN(C)C
InChI
InChI=1S/C16H22N2O2S/c1-4-20-16(19)15-12-18(11-7-10-17(2)3)13-8-5-6-9-14(13)21-15/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKey
ZYBKYJCRUUANML-UHFFFAOYSA-N
Compound name
ethyl 4-[3-(dimethylamino)propyl]-1,4-benzothiazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1402 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14748 170.7
[M+Na]+ 329.12942 181.9
[M+NH4]+ 324.17402 178.7
[M+K]+ 345.10336 173.2
[M-H]- 305.13292 173.4
[M+Na-2H]- 327.11487 175.5
[M]+ 306.13965 173.5
[M]- 306.14075 173.5
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.