CID 112646

63425-46-7

Structural Information

Molecular Formula
C23H23N2O
SMILES
CCN1C(=CC2=[N+](C(=CO2)C3=CC=CC=C3)CC)C=CC4=CC=CC=C41
InChI
InChI=1S/C23H23N2O/c1-3-24-20(15-14-19-12-8-9-13-21(19)24)16-23-25(4-2)22(17-26-23)18-10-6-5-7-11-18/h5-17H,3-4H2,1-2H3/q+1
InChIKey
NRJRRJATZSFTJC-UHFFFAOYSA-N
Compound name
3-ethyl-2-[(1-ethylquinolin-2-ylidene)methyl]-4-phenyl-1,3-oxazol-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

343.18103 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.188306 189.7
[M+Na]+ 366.170248 197.6
[M-H]- 342.173754 198.4
[M+NH4]+ 361.214853 201.3
[M+K]+ 382.144188 185.8
[M+H-H2O]+ 326.178290 181.6
[M+HCOO]- 388.179231 207.6
[M+CH3COO]- 402.194881 206.7
[M+Na-2H]- 364.155696 193.7
[M]+ 343.18048142 189.6
[M]- 343.18157858 189.6
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

No patent data available for this compound.