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 198.1
[M+Na]+ 413.26757 205.5
[M-H]- 389.27107 205.5
[M+NH4]+ 408.31217 212.2
[M+K]+ 429.24151 187.9
[M+H-H2O]+ 373.27561 195.0
[M+HCOO]- 435.27655 217.2
[M+CH3COO]- 449.29220 216.9
[M+Na-2H]- 411.25302 208.3
[M]+ 390.27780 199.7
[M]- 390.27890 199.7
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.