CID 120042

28766-22-5

Structural Information

Molecular Formula
C21H24N3
SMILES
CC1(C2=CC=CC=C2N(C1=CC=[N+]3CCNC4=CC=CC=C43)C)C
InChI
InChI=1S/C21H24N3/c1-21(2)16-8-4-6-10-18(16)23(3)20(21)12-14-24-15-13-22-17-9-5-7-11-19(17)24/h4-12,14,22H,13,15H2,1-3H3/q+1
InChIKey
CMOANHMUNWCCHT-UHFFFAOYSA-N
Compound name
4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2,3-dihydro-1H-quinoxalin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19702 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20430 183.5
[M+Na]+ 341.18624 191.3
[M-H]- 317.18974 186.4
[M+NH4]+ 336.23084 198.7
[M+K]+ 357.16018 177.2
[M+H-H2O]+ 301.19428 175.8
[M+HCOO]- 363.19522 195.9
[M+CH3COO]- 377.21087 199.2
[M+Na-2H]- 339.17169 187.3
[M]+ 318.19647 177.5
[M]- 318.19757 177.5
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.