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 172.8
[M+Na]+ 314.17535 182.1
[M-H]- 290.17885 180.0
[M+NH4]+ 309.21995 191.9
[M+K]+ 330.14929 170.2
[M+H-H2O]+ 274.18339 167.5
[M+HCOO]- 336.18433 195.3
[M+CH3COO]- 350.19998 200.8
[M+Na-2H]- 312.16080 178.9
[M]+ 291.18558 173.2
[M]- 291.18668 173.2
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.