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 181.1
[M+Na]+ 344.18592 189.8
[M-H]- 320.18942 188.1
[M+NH4]+ 339.23052 198.9
[M+K]+ 360.15986 178.2
[M+H-H2O]+ 304.19396 175.4
[M+HCOO]- 366.19490 203.5
[M+CH3COO]- 380.21055 205.7
[M+Na-2H]- 342.17137 186.8
[M]+ 321.19615 183.2
[M]- 321.19725 183.2
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.