CID 3051454

D 215

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1769 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.184176 176.7
[M+Na]+ 350.166118 182.1
[M-H]- 326.169624 179.5
[M+NH4]+ 345.210723 190.9
[M+K]+ 366.140058 177.8
[M+H-H2O]+ 310.174160 167.7
[M+HCOO]- 372.175101 187.7
[M+CH3COO]- 386.190751 185.8
[M+Na-2H]- 348.151566 179.0
[M]+ 327.17635142 179.6
[M]- 327.17744858 179.6
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.