CID 209407

D 1269

Structural Information

Molecular Formula
C16H18ClN3S
SMILES
CN(C)CCCN1C2=CC=CC=C2SC3=C1N=CC(=C3)Cl
InChI
InChI=1S/C16H18ClN3S/c1-19(2)8-5-9-20-13-6-3-4-7-14(13)21-15-10-12(17)11-18-16(15)20/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKey
IXTXUQFKQFBUFK-UHFFFAOYSA-N
Compound name
3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.091 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09828 169.4
[M+Na]+ 342.08022 178.5
[M-H]- 318.08372 172.9
[M+NH4]+ 337.12482 185.4
[M+K]+ 358.05416 172.4
[M+H-H2O]+ 302.08826 161.5
[M+HCOO]- 364.08920 179.0
[M+CH3COO]- 378.10485 180.1
[M+Na-2H]- 340.06567 174.0
[M]+ 319.09045 174.9
[M]- 319.09155 174.9
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.