CID 3051857

Lu 23670

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂S

SMILES

CCC(C)NCC(COC1=C2C=NSC2=CC=C1)O

InChI

InChI=1S/C14H20N2O2S/c1-3-10(2)15-7-11(17)9-18-13-5-4-6-14-12(13)8-16-19-14/h4-6,8,10-11,15,17H,3,7,9H2,1-2H3

InChIKey

TYDIKDRXPYYLES-UHFFFAOYSA-N

Compound name

1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 280.12454 Da
Monoisotopic Mass: 2.6
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]+	281.131816	163.8
[M+Na]+	303.113758	170.5
[M-H]-	279.117264	165.7
[M+NH4]+	298.158363	181.0
[M+K]+	319.087698	166.9
[M+H-H2O]+	263.121800	157.0
[M+HCOO]-	325.122741	180.2
[M+CH3COO]-	339.138391	199.0
[M+Na-2H]-	301.099206	165.4
[M]+	280.12399142	168.8
[M]-	280.12508858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe