CID 44153355

3h-indolium, 1,3,3-trimethyl-2-(2-((4-methylphenyl)amino)ethenyl)-, chloride (1:1)

Structural Information

Molecular Formula
C20H23N2
SMILES
CC1=CC=C(C=C1)N/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C
InChI
InChI=1S/C20H22N2/c1-15-9-11-16(12-10-15)21-14-13-19-20(2,3)17-7-5-6-8-18(17)22(19)4/h5-14H,1-4H3/p+1
InChIKey
IXHKDVFYDVPBMT-UHFFFAOYSA-O
Compound name
4-methyl-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18613 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19341 169.6
[M+Na]+ 314.17535 186.6
[M+NH4]+ 309.21995 181.4
[M+K]+ 330.14929 177.4
[M-H]- 290.17885 176.9
[M+Na-2H]- 312.16080 180.1
[M]+ 291.18558 174.8
[M]- 291.18668 174.8
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.