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]+ 328.18418 176.3
[M+Na]+ 350.16612 182.5
[M-H]- 326.16962 179.0
[M+NH4]+ 345.21072 190.8
[M+K]+ 366.14006 177.1
[M+H-H2O]+ 310.17416 166.9
[M+HCOO]- 372.17510 189.5
[M+CH3COO]- 386.19075 185.8
[M+Na-2H]- 348.15157 180.6
[M]+ 327.17635 180.3
[M]- 327.17745 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.