CID 9885512

Zyt-1

Structural Information

Molecular Formula

C₂₂H₂₆N₂O₃

SMILES

CCO[C@@H](CC1=CC=C(C=C1)OCC2=C(OC(=N2)C3=CC=CC=C3)C)CN

InChI

InChI=1S/C22H26N2O3/c1-3-25-20(14-23)13-17-9-11-19(12-10-17)26-15-21-16(2)27-22(24-21)18-7-5-4-6-8-18/h4-12,20H,3,13-15,23H2,1-2H3/t20-/m0/s1

InChIKey

RVDKWRMPVLGQBS-FQEVSTJZSA-N

Compound name

(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 366.19434 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]+	367.201616	190.8
[M+Na]+	389.183558	196.4
[M-H]-	365.187064	199.3
[M+NH4]+	384.228163	201.4
[M+K]+	405.157498	193.0
[M+H-H2O]+	349.191600	180.7
[M+HCOO]-	411.192541	212.3
[M+CH3COO]-	425.208191	219.0
[M+Na-2H]-	387.169006	191.1
[M]+	366.19379142	194.9
[M]-	366.19488858	194.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.