CID 53162

Bis(3-dimethylaminomethyl-5-indolyl)methane methosulfate

Structural Information

Molecular Formula
C25H34N4
SMILES
C[N+](C)(C)CC1=CC2=C(C=C1)NC=C2CC3=CNC4=C3C=C(C=C4)C[N+](C)(C)C
InChI
InChI=1S/C25H34N4/c1-28(2,3)16-18-7-9-24-22(11-18)20(14-26-24)13-21-15-27-25-10-8-19(12-23(21)25)17-29(4,5)6/h7-12,14-15,26-27H,13,16-17H2,1-6H3/q+2
InChIKey
ZOKHXWRXAARSNG-UHFFFAOYSA-N
Compound name
trimethyl-[[3-[[5-[(trimethylazaniumyl)methyl]-1H-indol-3-yl]methyl]-1H-indol-5-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.27835 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.28563 192.5
[M+Na]+ 413.26757 209.5
[M+NH4]+ 408.31217 202.8
[M+K]+ 429.24151 205.9
[M-H]- 389.27107 200.7
[M+Na-2H]- 411.25302 202.0
[M]+ 390.27780 198.3
[M]- 390.27890 198.3
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.