CID 18904

Methindethyrium

Structural Information

Molecular Formula
C22H31N3
SMILES
CN1C=C(C2=CC=CC=C21)CCC3=CC=[N+](C=C3)CCC[N+](C)(C)C
InChI
InChI=1S/C22H31N3/c1-23-18-20(21-8-5-6-9-22(21)23)11-10-19-12-15-24(16-13-19)14-7-17-25(2,3)4/h5-6,8-9,12-13,15-16,18H,7,10-11,14,17H2,1-4H3/q+2
InChIKey
ADCSYVXJAPHBFY-UHFFFAOYSA-N
Compound name
trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2518 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.259076 188.6
[M+Na]+ 360.241018 195.8
[M-H]- 336.244524 195.2
[M+NH4]+ 355.285623 202.5
[M+K]+ 376.214958 179.3
[M+H-H2O]+ 320.249060 184.1
[M+HCOO]- 382.250001 209.0
[M+CH3COO]- 396.265651 207.3
[M+Na-2H]- 358.226466 197.7
[M]+ 337.25125142 191.0
[M]- 337.25234858 191.0
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

No patent data available for this compound.