CID 3048526

D 243

Structural Information

Molecular Formula
C18H21N5OS
SMILES
CN1CCN(CC1)N(C)C(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C18H21N5OS/c1-20-10-12-22(13-11-20)21(2)18(24)23-14-6-3-4-7-15(14)25-16-8-5-9-19-17(16)23/h3-9H,10-13H2,1-2H3
InChIKey
NAVWCYVZDMTMNG-UHFFFAOYSA-N
Compound name
N-methyl-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

355.14667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.153946 181.4
[M+Na]+ 378.135888 187.2
[M-H]- 354.139394 184.3
[M+NH4]+ 373.180493 191.2
[M+K]+ 394.109828 182.0
[M+H-H2O]+ 338.143930 170.4
[M+HCOO]- 400.144871 188.8
[M+CH3COO]- 414.160521 189.1
[M+Na-2H]- 376.121336 184.4
[M]+ 355.14612142 179.7
[M]- 355.14721858 179.7
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.