CID 3048185

D 250

Structural Information

Molecular Formula
C19H22N4O2S
SMILES
C1COCCN1CCCNC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C19H22N4O2S/c24-19(21-9-4-10-22-11-13-25-14-12-22)23-15-5-1-2-6-16(15)26-17-7-3-8-20-18(17)23/h1-3,5-8H,4,9-14H2,(H,21,24)
InChIKey
GKYYHHYTKZLOAW-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14636 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15364 182.5
[M+Na]+ 393.13558 187.0
[M-H]- 369.13908 185.5
[M+NH4]+ 388.18018 190.9
[M+K]+ 409.10952 182.2
[M+H-H2O]+ 353.14362 171.9
[M+HCOO]- 415.14456 190.0
[M+CH3COO]- 429.16021 189.8
[M+Na-2H]- 391.12103 187.0
[M]+ 370.14581 180.9
[M]- 370.14691 180.9
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.