CID 3050715

D 274

Structural Information

Molecular Formula
C19H26N3S
SMILES
CC(C)[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C19H26N3S/c1-15(2)22(3,4)14-8-13-21-16-9-5-6-10-17(16)23-18-11-7-12-20-19(18)21/h5-7,9-12,15H,8,13-14H2,1-4H3/q+1
InChIKey
NWFHTADNTMYTET-UHFFFAOYSA-N
Compound name
dimethyl-propan-2-yl-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.18475 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19203 173.5
[M+Na]+ 351.17397 189.1
[M+NH4]+ 346.21857 184.2
[M+K]+ 367.14791 179.2
[M-H]- 327.17747 179.2
[M+Na-2H]- 349.15942 181.4
[M]+ 328.18420 178.5
[M]- 328.18530 178.5
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.