CID 170555

41672-54-2

Structural Information

Molecular Formula
C23H21N2O2
SMILES
CC[N+]1=C(OC2=C1C=CC3=CC=CC=C32)C=CN(C4=CC=CC=C4)C(=O)C
InChI
InChI=1S/C23H21N2O2/c1-3-24-21-14-13-18-9-7-8-12-20(18)23(21)27-22(24)15-16-25(17(2)26)19-10-5-4-6-11-19/h4-16H,3H2,1-2H3/q+1
InChIKey
KJARDKQXJAQLIA-UHFFFAOYSA-N
Compound name
N-[2-(3-ethylbenzo[g][1,3]benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1603 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16758 190.9
[M+Na]+ 380.14952 198.9
[M-H]- 356.15302 200.5
[M+NH4]+ 375.19412 204.6
[M+K]+ 396.12346 188.8
[M+H-H2O]+ 340.15756 183.9
[M+HCOO]- 402.15850 212.2
[M+CH3COO]- 416.17415 213.4
[M+Na-2H]- 378.13497 197.2
[M]+ 357.15975 194.6
[M]- 357.16085 194.6
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.