CID 3048179

D 246

Structural Information

Molecular Formula
C19H23N5OS
SMILES
CCN(C(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3)N4CCN(CC4)C
InChI
InChI=1S/C19H23N5OS/c1-3-23(22-13-11-21(2)12-14-22)19(25)24-15-7-4-5-8-16(15)26-17-9-6-10-20-18(17)24/h4-10H,3,11-14H2,1-2H3
InChIKey
WUNSFQABDVOGOQ-UHFFFAOYSA-N
Compound name
N-ethyl-N-(4-methylpiperazin-1-yl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.16232 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16960 185.5
[M+Na]+ 392.15154 190.9
[M-H]- 368.15504 188.2
[M+NH4]+ 387.19614 194.7
[M+K]+ 408.12548 185.4
[M+H-H2O]+ 352.15958 174.4
[M+HCOO]- 414.16052 192.6
[M+CH3COO]- 428.17617 192.8
[M+Na-2H]- 390.13699 188.1
[M]+ 369.16177 184.1
[M]- 369.16287 184.1
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.