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
1
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]+ 344.18831 189.7
[M+Na]+ 366.17025 197.6
[M-H]- 342.17375 198.4
[M+NH4]+ 361.21485 201.3
[M+K]+ 382.14419 185.8
[M+H-H2O]+ 326.17829 181.6
[M+HCOO]- 388.17923 207.6
[M+CH3COO]- 402.19488 206.7
[M+Na-2H]- 364.15570 193.7
[M]+ 343.18048 189.6
[M]- 343.18158 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.