CID 3018622

75872-99-0

Structural Information

Molecular Formula

C₂₂H₁₉NO₄

SMILES

CC(=C)C(=O)OCCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C22H19NO4/c1-16(2)21(24)26-13-14-27-22(25)19(15-23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,1,13-14H2,2H3

InChIKey

RYKLYVSCHKVVCC-UHFFFAOYSA-N

Compound name

2-(2-methylprop-2-enoyloxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 361.1314 Da
Monoisotopic Mass: 4.9
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]+	362.138676	194.4
[M+Na]+	384.120618	199.9
[M-H]-	360.124124	198.3
[M+NH4]+	379.165223	204.2
[M+K]+	400.094558	194.5
[M+H-H2O]+	344.128660	179.2
[M+HCOO]-	406.129601	209.2
[M+CH3COO]-	420.145251	223.0
[M+Na-2H]-	382.106066	191.5
[M]+	361.13085142	190.1
[M]-	361.13194858	190.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe