CID 5378831

Basic orange 21

Structural Information

Molecular Formula
C22H23N2
SMILES
CC1=C(C2=CC=CC=C2N1)/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C
InChI
InChI=1S/C22H22N2/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/h5-14H,1-4H3/p+1
InChIKey
HGBBCDZXYIAFHO-UHFFFAOYSA-O
Compound name
1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1819
Patents

315.18613 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19341 181.4
[M+Na]+ 338.17535 193.3
[M-H]- 314.17885 188.0
[M+NH4]+ 333.21995 200.8
[M+K]+ 354.14929 179.4
[M+H-H2O]+ 298.18339 176.1
[M+HCOO]- 360.18433 201.3
[M+CH3COO]- 374.19998 200.9
[M+Na-2H]- 336.16080 185.3
[M]+ 315.18558 183.3
[M]- 315.18668 183.3
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