CID 6438094

Einecs 251-820-2

Structural Information

Molecular Formula
C21H25N2O
SMILES
CCOC1=CC=C(C=C1)N/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C
InChI
InChI=1S/C21H24N2O/c1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4/h6-15H,5H2,1-4H3/p+1
InChIKey
PXHUEJKVEQLIQW-UHFFFAOYSA-O
Compound name
4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

321.1967 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20398 177.6
[M+Na]+ 344.18592 193.9
[M+NH4]+ 339.23052 188.6
[M+K]+ 360.15986 185.0
[M-H]- 320.18942 184.4
[M+Na-2H]- 342.17137 187.4
[M]+ 321.19615 182.5
[M]- 321.19725 182.5
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.