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

138
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 187.8
[M+Na]+ 375.12347 196.7
[M-H]- 351.12697 198.3
[M+NH4]+ 370.16807 201.3
[M+K]+ 391.09741 191.0
[M+H-H2O]+ 335.13151 178.5
[M+HCOO]- 397.13245 206.8
[M+CH3COO]- 411.14810 218.9
[M+Na-2H]- 373.10892 188.4
[M]+ 352.13370 193.6
[M]- 352.13480 193.6
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