CID 53422467

32151-96-5

Structural Information

Molecular Formula
C23H23N2O
SMILES
CCN1C2=CC=CC=C2OC1=CC=CC3=CC=[N+](C4=CC=CC=C34)CC
InChI
InChI=1S/C23H23N2O/c1-3-24-17-16-18(19-11-5-6-12-20(19)24)10-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23/h5-17H,3-4H2,1-2H3/q+1
InChIKey
COUGSHBDUFTYFC-UHFFFAOYSA-N
Compound name
3-ethyl-2-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

343.18103 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.188306 189.8
[M+Na]+ 366.170248 198.2
[M-H]- 342.173754 196.2
[M+NH4]+ 361.214853 202.8
[M+K]+ 382.144188 185.6
[M+H-H2O]+ 326.178290 182.4
[M+HCOO]- 388.179231 206.4
[M+CH3COO]- 402.194881 206.9
[M+Na-2H]- 364.155696 194.4
[M]+ 343.18048142 190.2
[M]- 343.18157858 190.2
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