CID 210256

4-(2-indol-1-ylethyl)-1-(3-(trimethylammonio)propyl)pyridinium dibromide

Structural Information

Molecular Formula
C21H29N3
SMILES
C[N+](C)(C)CCC[N+]1=CC=C(C=C1)CCN2C=CC3=CC=CC=C32
InChI
InChI=1S/C21H29N3/c1-24(2,3)18-6-13-22-14-9-19(10-15-22)11-16-23-17-12-20-7-4-5-8-21(20)23/h4-5,7-10,12,14-15,17H,6,11,13,16,18H2,1-3H3/q+2
InChIKey
QEKIPLDLDZBBQJ-UHFFFAOYSA-N
Compound name
3-[4-(2-indol-1-ylethyl)pyridin-1-ium-1-yl]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.23615 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.24343 183.9
[M+Na]+ 346.22537 190.7
[M-H]- 322.22887 190.3
[M+NH4]+ 341.26997 198.1
[M+K]+ 362.19931 174.4
[M+H-H2O]+ 306.23341 179.3
[M+HCOO]- 368.23435 204.7
[M+CH3COO]- 382.25000 203.3
[M+Na-2H]- 344.21082 194.2
[M]+ 323.23560 185.6
[M]- 323.23670 185.6
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.