CID 56043

90094-63-6

Structural Information

Molecular Formula
C26H36N4
SMILES
C[N+](C)(C)CC1=CNC2=C1C=C(C=C2)CCC3=CC4=C(C=C3)NC=C4C[N+](C)(C)C
InChI
InChI=1S/C26H36N4/c1-29(2,3)17-21-15-27-25-11-9-19(13-23(21)25)7-8-20-10-12-26-24(14-20)22(16-28-26)18-30(4,5)6/h9-16,27-28H,7-8,17-18H2,1-6H3/q+2
InChIKey
URFXUTFRCTVPRG-UHFFFAOYSA-N
Compound name
trimethyl-[[5-[2-[3-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]ethyl]-1H-indol-3-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.294 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.30128 202.8
[M+Na]+ 427.28322 209.7
[M-H]- 403.28672 209.9
[M+NH4]+ 422.32782 216.2
[M+K]+ 443.25716 191.9
[M+H-H2O]+ 387.29126 199.5
[M+HCOO]- 449.29220 221.4
[M+CH3COO]- 463.30785 219.7
[M+Na-2H]- 425.26867 212.4
[M]+ 404.29345 204.6
[M]- 404.29455 204.6
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.