CID 3051458

D 295

Structural Information

Molecular Formula
C20H27N3S
SMILES
CCCN(CCC)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C20H27N3S/c1-3-13-22(14-4-2)15-8-16-23-17-9-5-6-10-18(17)24-19-11-7-12-21-20(19)23/h5-7,9-12H,3-4,8,13-16H2,1-2H3
InChIKey
OWFPHLWNFHNWKI-UHFFFAOYSA-N
Compound name
N,N-dipropyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.19257 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19985 181.4
[M+Na]+ 364.18179 194.9
[M+NH4]+ 359.22639 190.7
[M+K]+ 380.15573 183.1
[M-H]- 340.18529 185.7
[M+Na-2H]- 362.16724 187.6
[M]+ 341.19202 185.2
[M]- 341.19312 185.2
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.