CID 3051451

10h-pyrido(3,2-b)(1,4)benzothiazine, 10-(3-(diallylamino)propyl)-

Structural Information

Molecular Formula
C20H23N3S
SMILES
C=CCN(CCCN1C2=CC=CC=C2SC3=C1N=CC=C3)CC=C
InChI
InChI=1S/C20H23N3S/c1-3-13-22(14-4-2)15-8-16-23-17-9-5-6-10-18(17)24-19-11-7-12-21-20(19)23/h3-7,9-12H,1-2,8,13-16H2
InChIKey
GCLXMXAZLBDGOT-UHFFFAOYSA-N
Compound name
N,N-bis(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

337.16125 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16853 179.1
[M+Na]+ 360.15047 185.5
[M-H]- 336.15397 181.6
[M+NH4]+ 355.19507 192.9
[M+K]+ 376.12441 178.6
[M+H-H2O]+ 320.15851 169.6
[M+HCOO]- 382.15945 192.4
[M+CH3COO]- 396.17510 188.2
[M+Na-2H]- 358.13592 182.9
[M]+ 337.16070 182.0
[M]- 337.16180 182.0
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.