CID 3050669

D 252

Structural Information

Molecular Formula
C18H24N3S
SMILES
CC[N+](C)(CC)CCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C18H24N3S/c1-4-21(3,5-2)14-13-20-15-9-6-7-10-16(15)22-17-11-8-12-19-18(17)20/h6-12H,4-5,13-14H2,1-3H3/q+1
InChIKey
LKYLKKZHWAITMH-UHFFFAOYSA-N
Compound name
diethyl-methyl-(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1691 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17638 169.6
[M+Na]+ 337.15832 185.7
[M+NH4]+ 332.20292 180.6
[M+K]+ 353.13226 175.2
[M-H]- 313.16182 175.5
[M+Na-2H]- 335.14377 177.9
[M]+ 314.16855 174.7
[M]- 314.16965 174.7
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.