CID 97046793

1333385-97-9

Structural Information

Molecular Formula
C33H39N2
SMILES
CC(C)(C)[C@@H](C1=CC=CC2=CC=CC=C21)N3CC[N+](=C3)[C@@H](C4=CC=CC5=CC=CC=C54)C(C)(C)C
InChI
InChI=1S/C33H39N2/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/h7-20,23,30-31H,21-22H2,1-6H3/q+1/t30-,31+
InChIKey
JJLICLMPJAVROV-QRRGNZNSSA-N
Compound name
3-[(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl]-1-[(1R)-2,2-dimethyl-1-naphthalen-1-ylpropyl]-4,5-dihydroimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.3113 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.31858 226.5
[M+Na]+ 486.30052 230.3
[M-H]- 462.30402 234.4
[M+NH4]+ 481.34512 234.7
[M+K]+ 502.27446 217.2
[M+H-H2O]+ 446.30856 217.4
[M+HCOO]- 508.30950 236.7
[M+CH3COO]- 522.32515 232.4
[M+Na-2H]- 484.28597 229.0
[M]+ 463.31075 225.4
[M]- 463.31185 225.4
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.