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]+ 462.302976 226.4
[M+Na]+ 484.284918 231.2
[M-H]- 460.288424 234.8
[M+NH4]+ 479.329523 234.8
[M+K]+ 500.258858 218.0
[M+H-H2O]+ 444.292960 217.3
[M+HCOO]- 506.293901 238.0
[M+CH3COO]- 520.309551 232.1
[M+Na-2H]- 482.270366 229.8
[M]+ 461.29515142 226.7
[M]- 461.29624858 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.