CID 2753452

Acr4pimeop

Structural Information

Molecular Formula

C₂₁H₂₃NO₃

SMILES

CCCCOC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H23NO3/c1-3-4-15-25-21(23)14-9-17-5-10-19(11-6-17)22-16-18-7-12-20(24-2)13-8-18/h5-14,16H,3-4,15H2,1-2H3

InChIKey

CULYZFOOJBHBNM-UHFFFAOYSA-N

Compound name

butyl 3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 337.1678 Da
Monoisotopic Mass: 4.7
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]+	338.175076	182.7
[M+Na]+	360.157018	188.2
[M-H]-	336.160524	190.0
[M+NH4]+	355.201623	196.5
[M+K]+	376.130958	184.0
[M+H-H2O]+	320.165060	173.3
[M+HCOO]-	382.166001	207.4
[M+CH3COO]-	396.181651	215.3
[M+Na-2H]-	358.142466	185.1
[M]+	337.16725142	187.4
[M]-	337.16834858	187.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe