CID 3034356

24136-83-2

Structural Information

Molecular Formula
C23H23N2O2
SMILES
CC[N+]1=C(OC2=CC=CC=C21)C=CC=CC=CN(C3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C23H23N2O2/c1-3-24-21-15-10-11-16-22(21)27-23(24)17-9-4-5-12-18-25(19(2)26)20-13-7-6-8-14-20/h4-18H,3H2,1-2H3/q+1
InChIKey
LZMKIMCCFUGOAS-UHFFFAOYSA-N
Compound name
N-[6-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hexa-1,3,5-trienyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.17596 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.183236 194.0
[M+Na]+ 382.165178 200.7
[M-H]- 358.168684 202.2
[M+NH4]+ 377.209783 206.7
[M+K]+ 398.139118 189.9
[M+H-H2O]+ 342.173220 187.1
[M+HCOO]- 404.174161 216.2
[M+CH3COO]- 418.189811 211.2
[M+Na-2H]- 380.150626 198.2
[M]+ 359.17541142 197.1
[M]- 359.17650858 197.1
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.