CID 3791329

Maybridge3_004438

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₄

SMILES

CCOC(=O)C(=C1NC(C(O1)C2=CC=CC=C2)CO)C#N

InChI

InChI=1S/C15H16N2O4/c1-2-20-15(19)11(8-16)14-17-12(9-18)13(21-14)10-6-4-3-5-7-10/h3-7,12-13,17-18H,2,9H2,1H3

InChIKey

WCNYFSOZVZDMGZ-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-2-[4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-ylidene]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 288.111 Da
Monoisotopic Mass: 1.5
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]+	289.118276	167.4
[M+Na]+	311.100218	174.6
[M-H]-	287.103724	169.0
[M+NH4]+	306.144823	178.7
[M+K]+	327.074158	170.6
[M+H-H2O]+	271.108260	153.2
[M+HCOO]-	333.109201	180.2
[M+CH3COO]-	347.124851	204.9
[M+Na-2H]-	309.085666	166.6
[M]+	288.11045142	160.6
[M]-	288.11154858	160.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.