CID 94642

68845-14-7

Structural Information

Molecular Formula
C22H23N2
SMILES
CC1=NC2=CC=CC=C2C1C=CC3=[N+](C4=CC=CC=C4C3(C)C)C
InChI
InChI=1S/C22H23N2/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14,16H,1-4H3/q+1
InChIKey
RCNDTZYHQDTFHS-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2-[2-(2-methyl-3H-indol-3-yl)ethenyl]indol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.18613 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19341 181.9
[M+Na]+ 338.17535 193.2
[M-H]- 314.17885 189.3
[M+NH4]+ 333.21995 201.9
[M+K]+ 354.14929 180.3
[M+H-H2O]+ 298.18339 176.1
[M+HCOO]- 360.18433 201.9
[M+CH3COO]- 374.19998 203.7
[M+Na-2H]- 336.16080 185.1
[M]+ 315.18558 184.0
[M]- 315.18668 184.0
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

patents stripe