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]+ 356.15395 181.4
[M+Na]+ 378.13589 187.2
[M-H]- 354.13939 184.3
[M+NH4]+ 373.18049 191.2
[M+K]+ 394.10983 182.0
[M+H-H2O]+ 338.14393 170.4
[M+HCOO]- 400.14487 188.8
[M+CH3COO]- 414.16052 189.1
[M+Na-2H]- 376.12134 184.4
[M]+ 355.14612 179.7
[M]- 355.14722 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.