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]+ 360.18324 194.0
[M+Na]+ 382.16518 200.7
[M-H]- 358.16868 202.2
[M+NH4]+ 377.20978 206.7
[M+K]+ 398.13912 189.9
[M+H-H2O]+ 342.17322 187.1
[M+HCOO]- 404.17416 216.2
[M+CH3COO]- 418.18981 211.2
[M+Na-2H]- 380.15063 198.2
[M]+ 359.17541 197.1
[M]- 359.17651 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.