CID 14670

Prothipendyl

Structural Information

Molecular Formula
C16H19N3S
SMILES
CN(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3
InChIKey
JTTAUPUMOLRVRA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

80
References

2291
Patents

285.12997 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.137246 163.1
[M+Na]+ 308.119188 170.8
[M-H]- 284.122694 166.5
[M+NH4]+ 303.163793 179.3
[M+K]+ 324.093128 166.0
[M+H-H2O]+ 268.127230 154.4
[M+HCOO]- 330.128171 177.4
[M+CH3COO]- 344.143821 173.9
[M+Na-2H]- 306.104636 169.0
[M]+ 285.12942142 166.2
[M]- 285.13051858 166.2
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

patents stripe