CID 25646

Ammonium, trimethylenebis(benzyldimethyl-, dibromide

Structural Information

Molecular Formula
C21H32N2
SMILES
C[N+](C)(CCC[N+](C)(C)CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C21H32N2/c1-22(2,18-20-12-7-5-8-13-20)16-11-17-23(3,4)19-21-14-9-6-10-15-21/h5-10,12-15H,11,16-19H2,1-4H3/q+2
InChIKey
VUIUQGNHCZOREM-UHFFFAOYSA-N
Compound name
benzyl-[3-[benzyl(dimethyl)azaniumyl]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.25656 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.26384 177.3
[M+Na]+ 335.24578 180.3
[M-H]- 311.24928 185.6
[M+NH4]+ 330.29038 192.0
[M+K]+ 351.21972 166.1
[M+H-H2O]+ 295.25382 174.1
[M+HCOO]- 357.25476 199.7
[M+CH3COO]- 371.27041 206.7
[M+Na-2H]- 333.23123 189.1
[M]+ 312.25601 176.8
[M]- 312.25711 176.8
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.