CID 32583

24660-76-2

Structural Information

Molecular Formula
C30H34N2
SMILES
C[N+](C)(CC1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](C)(C)CC4=CC=CC=C4
InChI
InChI=1S/C30H34N2/c1-31(2,23-25-11-7-5-8-12-25)29-19-15-27(16-20-29)28-17-21-30(22-18-28)32(3,4)24-26-13-9-6-10-14-26/h5-22H,23-24H2,1-4H3/q+2
InChIKey
YKOGERWRKDAJSA-UHFFFAOYSA-N
Compound name
benzyl-[4-[4-[benzyl(dimethyl)azaniumyl]phenyl]phenyl]-dimethylazanium
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 210.8
[M+Na]+ 445.26142 213.4
[M-H]- 421.26492 224.4
[M+NH4]+ 440.30602 219.8
[M+K]+ 461.23536 196.3
[M+H-H2O]+ 405.26946 203.8
[M+HCOO]- 467.27040 231.6
[M+CH3COO]- 481.28605 226.7
[M+Na-2H]- 443.24687 220.5
[M]+ 422.27165 208.4
[M]- 422.27275 208.4
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.