CID 3048119

D 233

Structural Information

Molecular Formula
C19H23N3O2S
SMILES
CCN(CC)CCCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C19H23N3O2S/c1-3-21(4-2)13-8-14-24-19(23)22-15-9-5-6-10-16(15)25-17-11-7-12-20-18(17)22/h5-7,9-12H,3-4,8,13-14H2,1-2H3
InChIKey
NJYSEZQKAGIHBM-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1511 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15838 182.6
[M+Na]+ 380.14032 195.0
[M+NH4]+ 375.18492 190.5
[M+K]+ 396.11426 185.2
[M-H]- 356.14382 185.5
[M+Na-2H]- 378.12577 187.8
[M]+ 357.15055 185.6
[M]- 357.15165 185.6
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.