CID 89611

Einecs 244-812-5

Structural Information

Molecular Formula

C₂₁H₂₁ClN₂O

SMILES

CCN(CC)C1=CC=C(C=C1)C2=C(N=C(O2)C=C)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O/c1-4-19-23-20(17-9-7-8-10-18(17)22)21(25-19)15-11-13-16(14-12-15)24(5-2)6-3/h4,7-14H,1,5-6H2,2-3H3

InChIKey

JJQOKUCYWIGCIN-UHFFFAOYSA-N

Compound name

4-[4-(2-chlorophenyl)-2-ethenyl-1,3-oxazol-5-yl]-N,N-diethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 140
Patents: 352.13425 Da
Monoisotopic Mass: 6.0
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]+	353.141526	187.8
[M+Na]+	375.123468	196.7
[M-H]-	351.126974	198.3
[M+NH4]+	370.168073	201.3
[M+K]+	391.097408	191.0
[M+H-H2O]+	335.131510	178.5
[M+HCOO]-	397.132451	206.8
[M+CH3COO]-	411.148101	218.9
[M+Na-2H]-	373.108916	188.4
[M]+	352.13370142	193.6
[M]-	352.13479858	193.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe