CID 3051453

D 212

Structural Information

Molecular Formula
C18H23N3S
SMILES
CCN(CC)C(C)CN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C18H23N3S/c1-4-20(5-2)14(3)13-21-15-9-6-7-10-16(15)22-17-11-8-12-19-18(17)21/h6-12,14H,4-5,13H2,1-3H3
InChIKey
JDONXTPPNMVDHF-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.16125 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16853 172.3
[M+Na]+ 336.15047 178.6
[M-H]- 312.15397 175.2
[M+NH4]+ 331.19507 187.2
[M+K]+ 352.12441 173.9
[M+H-H2O]+ 296.15851 163.3
[M+HCOO]- 358.15945 184.7
[M+CH3COO]- 372.17510 182.0
[M+Na-2H]- 334.13592 176.1
[M]+ 313.16070 175.4
[M]- 313.16180 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.