CID 11973328

14934-37-3

Structural Information

Molecular Formula
C22H23N2O2
SMILES
CCN1C2=CC=CC=C2OC1=CC(=CC3=[N+](C4=CC=CC=C4O3)CC)C
InChI
InChI=1S/C22H23N2O2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1
InChIKey
SQLIGCYCXRHPLT-UHFFFAOYSA-N
Compound name
3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

347.17596 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18324 189.5
[M+Na]+ 370.16518 198.8
[M-H]- 346.16868 197.4
[M+NH4]+ 365.20978 203.0
[M+K]+ 386.13912 188.8
[M+H-H2O]+ 330.17322 184.1
[M+HCOO]- 392.17416 206.9
[M+CH3COO]- 406.18981 206.8
[M+Na-2H]- 368.15063 192.1
[M]+ 347.17541 193.4
[M]- 347.17651 193.4
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