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 180.7
[M+Na]+ 364.18179 186.4
[M-H]- 340.18529 183.1
[M+NH4]+ 359.22639 194.5
[M+K]+ 380.15573 180.8
[M+H-H2O]+ 324.18983 171.1
[M+HCOO]- 386.19077 193.6
[M+CH3COO]- 400.20642 189.7
[M+Na-2H]- 362.16724 184.5
[M]+ 341.19202 185.0
[M]- 341.19312 185.0
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.