CID 3066388

4h-s-triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-((4-methyl-1-piperazinyl)methyl)-

Structural Information

Molecular Formula
C15H18ClN5S
SMILES
CN1CCN(CC1)CC2=NN=C3N2C4=C(C=C(C=C4)Cl)SC3
InChI
InChI=1S/C15H18ClN5S/c1-19-4-6-20(7-5-19)9-14-17-18-15-10-22-13-8-11(16)2-3-12(13)21(14)15/h2-3,8H,4-7,9-10H2,1H3
InChIKey
ZBYMLYHIONOQEC-UHFFFAOYSA-N
Compound name
7-chloro-1-[(4-methylpiperazin-1-yl)methyl]-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.09714 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.10442 176.7
[M+Na]+ 358.08636 186.6
[M-H]- 334.08986 177.9
[M+NH4]+ 353.13096 189.1
[M+K]+ 374.06030 179.5
[M+H-H2O]+ 318.09440 166.9
[M+HCOO]- 380.09534 179.3
[M+CH3COO]- 394.11099 185.4
[M+Na-2H]- 356.07181 176.5
[M]+ 335.09659 177.2
[M]- 335.09769 177.2
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.