CID 3050665

D 213

Structural Information

Molecular Formula
C19H26N3S
SMILES
CC[N+](C)(CC)C(C)CN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C19H26N3S/c1-5-22(4,6-2)15(3)14-21-16-10-7-8-11-17(16)23-18-12-9-13-20-19(18)21/h7-13,15H,5-6,14H2,1-4H3/q+1
InChIKey
IEHAAUQDNAHGGX-UHFFFAOYSA-N
Compound name
diethyl-methyl-(1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-yl)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 175.2
[M+Na]+ 351.17397 181.3
[M-H]- 327.17747 178.4
[M+NH4]+ 346.21857 189.6
[M+K]+ 367.14791 170.8
[M+H-H2O]+ 311.18201 169.2
[M+HCOO]- 373.18295 186.4
[M+CH3COO]- 387.19860 209.9
[M+Na-2H]- 349.15942 182.8
[M]+ 328.18420 176.8
[M]- 328.18530 176.8
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.