CID 53421

Fostedil

Structural Information

Molecular Formula

C₁₈H₂₀NO₃PS

SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C18H20NO3PS/c1-3-21-23(20,22-4-2)13-14-9-11-15(12-10-14)18-19-16-7-5-6-8-17(16)24-18/h5-12H,3-4,13H2,1-2H3

InChIKey

FVYRUSCZCWSFLT-UHFFFAOYSA-N

Compound name

2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 31
References: 943
Patents: 361.09015 Da
Monoisotopic Mass: 3.5
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]+	362.09743	181.2
[M+Na]+	384.07937	194.5
[M+NH4]+	379.12397	189.0
[M+K]+	400.05331	187.0
[M-H]-	360.08287	184.4
[M+Na-2H]-	382.06482	188.4
[M]+	361.08960	184.6
[M]-	361.09070	184.6

Literature stripe

literature stripe

Patent stripe

patents stripe