CID 89611

22159-33-7

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

129
Patents

352.13425 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14153 186.0
[M+Na]+ 375.12347 202.5
[M+NH4]+ 370.16807 194.6
[M+K]+ 391.09741 194.6
[M-H]- 351.12697 194.3
[M+Na-2H]- 373.10892 195.5
[M]+ 352.13370 191.3
[M]- 352.13480 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe