CID 3048446

Pyridinium, 1-(3-(trimethylammonio)propyl)-4-(triphenylmethyl)-, dibromide

Structural Information

Molecular Formula
C30H34N2
SMILES
C[N+](C)(C)CCC[N+]1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C30H34N2/c1-32(2,3)25-13-22-31-23-20-29(21-24-31)30(26-14-7-4-8-15-26,27-16-9-5-10-17-27)28-18-11-6-12-19-28/h4-12,14-21,23-24H,13,22,25H2,1-3H3/q+2
InChIKey
WMLGYCWNMMNXKR-UHFFFAOYSA-N
Compound name
trimethyl-[3-(4-tritylpyridin-1-ium-1-yl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.2722 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.27948 214.8
[M+Na]+ 445.26142 216.8
[M-H]- 421.26492 225.5
[M+NH4]+ 440.30602 221.6
[M+K]+ 461.23536 198.9
[M+H-H2O]+ 405.26946 207.0
[M+HCOO]- 467.27040 232.0
[M+CH3COO]- 481.28605 221.1
[M+Na-2H]- 443.24687 224.4
[M]+ 422.27165 211.5
[M]- 422.27275 211.5
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.