CID 54671433

1333385-96-8

Structural Information

Molecular Formula
C33H37N2
SMILES
CC(C)(C)[C@@H](C1=CC=CC2=CC=CC=C21)N3C=C[N+](=C3)[C@H](C4=CC=CC5=CC=CC=C54)C(C)(C)C
InChI
InChI=1S/C33H37N2/c1-32(2,3)30(28-19-11-15-24-13-7-9-17-26(24)28)34-21-22-35(23-34)31(33(4,5)6)29-20-12-16-25-14-8-10-18-27(25)29/h7-23,30-31H,1-6H3/q+1/t30-,31-/m1/s1
InChIKey
USBWUGXWICGYQK-FIRIVFDPSA-N
Compound name
1,3-bis[(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl]imidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.2957 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.30298 226.4
[M+Na]+ 484.28492 231.2
[M-H]- 460.28842 234.8
[M+NH4]+ 479.32952 234.8
[M+K]+ 500.25886 218.0
[M+H-H2O]+ 444.29296 217.3
[M+HCOO]- 506.29390 238.0
[M+CH3COO]- 520.30955 232.1
[M+Na-2H]- 482.27037 229.8
[M]+ 461.29515 226.7
[M]- 461.29625 226.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.