CID 3051457

D 294

Structural Information

Molecular Formula
C19H25N3S
SMILES
CCCN(CCC)CCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C19H25N3S/c1-3-12-21(13-4-2)14-15-22-16-8-5-6-9-17(16)23-18-10-7-11-20-19(18)22/h5-11H,3-4,12-15H2,1-2H3
InChIKey
WSXWZCGDUIHUCR-UHFFFAOYSA-N
Compound name
N-propyl-N-(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1769 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.184176 176.3
[M+Na]+ 350.166118 182.5
[M-H]- 326.169624 179.0
[M+NH4]+ 345.210723 190.8
[M+K]+ 366.140058 177.1
[M+H-H2O]+ 310.174160 166.9
[M+HCOO]- 372.175101 189.5
[M+CH3COO]- 386.190751 185.8
[M+Na-2H]- 348.151566 180.6
[M]+ 327.17635142 180.3
[M]- 327.17744858 180.3
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.