CID 170568

Zxwxlkdceharti-uhfffaoysa-m

Structural Information

Molecular Formula
C21H23N2O2
SMILES
CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)C=CN(C3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C21H23N2O2/c1-5-22-19-13-15(2)16(3)14-20(19)25-21(22)11-12-23(17(4)24)18-9-7-6-8-10-18/h6-14H,5H2,1-4H3/q+1
InChIKey
WGAVJIFZXAEVLX-UHFFFAOYSA-N
Compound name
N-[2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.17596 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18324 185.5
[M+Na]+ 358.16518 194.3
[M-H]- 334.16868 194.8
[M+NH4]+ 353.20978 199.9
[M+K]+ 374.13912 185.1
[M+H-H2O]+ 318.17322 179.4
[M+HCOO]- 380.17416 208.0
[M+CH3COO]- 394.18981 210.7
[M+Na-2H]- 356.15063 189.6
[M]+ 335.17541 190.4
[M]- 335.17651 190.4
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

No patent data available for this compound.