CID 209411

D 1276

Structural Information

Molecular Formula
C19H23ClN4S
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2N=CC(=C4)Cl
InChI
InChI=1S/C19H23ClN4S/c1-22-9-11-23(12-10-22)7-4-8-24-16-5-2-3-6-17(16)25-18-13-15(20)14-21-19(18)24/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKey
QRIZVGKHRCOOSH-UHFFFAOYSA-N
Compound name
3-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,2-b][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1332 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14048 186.3
[M+Na]+ 397.12242 194.0
[M-H]- 373.12592 187.5
[M+NH4]+ 392.16702 196.3
[M+K]+ 413.09636 185.7
[M+H-H2O]+ 357.13046 175.5
[M+HCOO]- 419.13140 187.8
[M+CH3COO]- 433.14705 193.5
[M+Na-2H]- 395.10787 187.8
[M]+ 374.13265 186.5
[M]- 374.13375 186.5
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.