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

143
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 201.5
[M+Na]+ 425.13912 209.5
[M-H]- 401.14262 214.6
[M+NH4]+ 420.18372 212.1
[M+K]+ 441.11306 203.2
[M+H-H2O]+ 385.14716 190.4
[M+HCOO]- 447.14810 219.9
[M+CH3COO]- 461.16375 211.8
[M+Na-2H]- 423.12457 201.9
[M]+ 402.14935 206.7
[M]- 402.15045 206.7
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