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 209.6
[M+Na]+ 447.25192 215.3
[M-H]- 423.25542 216.9
[M+NH4]+ 442.29652 219.0
[M+K]+ 463.22586 195.9
[M+H-H2O]+ 407.25996 203.8
[M+HCOO]- 469.26090 225.5
[M+CH3COO]- 483.27655 216.5
[M+Na-2H]- 445.23737 216.9
[M]+ 424.26215 208.8
[M]- 424.26325 208.8
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.