CID 3051450

D 299

Structural Information

Molecular Formula
C17H19N3S
SMILES
C=CCNCCCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C17H19N3S/c1-2-10-18-11-6-13-20-14-7-3-4-8-15(14)21-16-9-5-12-19-17(16)20/h2-5,7-9,12,18H,1,6,10-11,13H2
InChIKey
BFNMNTDFUZZRQL-UHFFFAOYSA-N
Compound name
N-prop-2-enyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.12997 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13725 165.7
[M+Na]+ 320.11919 173.1
[M-H]- 296.12269 167.4
[M+NH4]+ 315.16379 180.7
[M+K]+ 336.09313 166.1
[M+H-H2O]+ 280.12723 157.1
[M+HCOO]- 342.12817 179.4
[M+CH3COO]- 356.14382 175.6
[M+Na-2H]- 318.10464 171.8
[M]+ 297.12942 167.2
[M]- 297.13052 167.2
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.