CID 3016995

55766-52-4

Structural Information

Molecular Formula
C25H23ClN2O
SMILES
CCN(CC)C1=CC=C(C=C1)C2=C(N=C(O2)C3=CC=CC=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C25H23ClN2O/c1-3-28(4-2)20-16-14-18(15-17-20)24-23(21-12-8-9-13-22(21)26)27-25(29-24)19-10-6-5-7-11-19/h5-17H,3-4H2,1-2H3
InChIKey
JHXYCTMOASWKJJ-UHFFFAOYSA-N
Compound name
4-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

402.1499 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15718 200.7
[M+Na]+ 425.13912 219.2
[M+NH4]+ 420.18372 210.0
[M+K]+ 441.11306 209.9
[M-H]- 401.14262 211.9
[M+Na-2H]- 423.12457 213.1
[M]+ 402.14935 207.3
[M]- 402.15045 207.3
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