CID 3048175

D 225

Structural Information

Molecular Formula

C₁₉H₂₄N₄OS

SMILES

CCN(CC)CCCNC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3

InChI

InChI=1S/C19H24N4OS/c1-3-22(4-2)14-8-13-21-19(24)23-15-9-5-6-10-16(15)25-17-11-7-12-20-18(17)23/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,21,24)

InChIKey

YDYWWRFRRKMBAA-UHFFFAOYSA-N

Compound name

N-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 356.16708 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	357.174356	181.9
[M+Na]+	379.156298	187.0
[M-H]-	355.159804	184.5
[M+NH4]+	374.200903	194.6
[M+K]+	395.130238	182.2
[M+H-H2O]+	339.164340	172.4
[M+HCOO]-	401.165281	195.5
[M+CH3COO]-	415.180931	221.8
[M+Na-2H]-	377.141746	186.4
[M]+	356.16653142	185.3
[M]-	356.16762858	185.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.