CID 118014

Brn 0993960

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

CC(C#C)N(C)C1=NC(=O)C(O1)C2=CC=CC=C2

InChI

InChI=1S/C14H14N2O2/c1-4-10(2)16(3)14-15-13(17)12(18-14)11-8-6-5-7-9-11/h1,5-10,12H,2-3H3

InChIKey

QVXGRIAUKOUKHV-UHFFFAOYSA-N

Compound name

2-[but-3-yn-2-yl(methyl)amino]-5-phenyl-1,3-oxazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 242.10553 Da
Monoisotopic Mass: 2.0
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]+	243.112806	155.7
[M+Na]+	265.094748	165.1
[M-H]-	241.098254	160.2
[M+NH4]+	260.139353	170.3
[M+K]+	281.068688	161.9
[M+H-H2O]+	225.102790	141.3
[M+HCOO]-	287.103731	172.3
[M+CH3COO]-	301.119381	203.7
[M+Na-2H]-	263.080196	157.0
[M]+	242.10498142	151.3
[M]-	242.10607858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe