CID 210159

21074-48-6

Structural Information

Molecular Formula
C28H32N4
SMILES
C[N+](C)(C)CCC[N+]1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C28H32N4/c1-32(2,3)18-8-15-31-16-13-21(14-17-31)28(24-19-29-26-11-6-4-9-22(24)26)25-20-30-27-12-7-5-10-23(25)27/h4-7,9-14,16-17,19-20,28-30H,8,15,18H2,1-3H3/q+2
InChIKey
NVKSLHCHSLYZLQ-UHFFFAOYSA-N
Compound name
3-[4-[bis(1H-indol-3-yl)methyl]pyridin-1-ium-1-yl]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.2627 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.26998 201.3
[M+Na]+ 447.25192 220.5
[M+NH4]+ 442.29652 211.4
[M+K]+ 463.22586 215.6
[M-H]- 423.25542 210.8
[M+Na-2H]- 445.23737 212.8
[M]+ 424.26215 207.8
[M]- 424.26325 207.8
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.