CID 2189332

3-ethyl-2-[(1e)-2-[methyl(phenyl)amino]ethenyl]-4,5-diphenyl-1,3-oxazol-3-ium iodide

Structural Information

Molecular Formula
C26H25N2O
SMILES
CC[N+]1=C(OC(=C1C2=CC=CC=C2)C3=CC=CC=C3)/C=C/N(C)C4=CC=CC=C4
InChI
InChI=1S/C26H25N2O/c1-3-28-24(19-20-27(2)23-17-11-6-12-18-23)29-26(22-15-9-5-10-16-22)25(28)21-13-7-4-8-14-21/h4-20H,3H2,1-2H3/q+1
InChIKey
PHUCBKLPJDQXKN-UHFFFAOYSA-N
Compound name
N-[(E)-2-(3-ethyl-4,5-diphenyl-1,3-oxazol-3-ium-2-yl)ethenyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.1967 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20398 201.0
[M+Na]+ 404.18592 206.7
[M-H]- 380.18942 214.1
[M+NH4]+ 399.23052 210.9
[M+K]+ 420.15986 195.7
[M+H-H2O]+ 364.19396 192.0
[M+HCOO]- 426.19490 223.4
[M+CH3COO]- 440.21055 217.7
[M+Na-2H]- 402.17137 204.3
[M]+ 381.19615 201.5
[M]- 381.19725 201.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.