CID 97046955

1208220-06-7

Structural Information

Molecular Formula
C35H39N2
SMILES
C1CCC(CC1)C2=C(C3=CC=CC=C3C=C2)N4CC[N+](=C4)C5=C(C=CC6=CC=CC=C65)C7CCCCC7
InChI
InChI=1S/C35H39N2/c1-3-11-26(12-4-1)32-21-19-28-15-7-9-17-30(28)34(32)36-23-24-37(25-36)35-31-18-10-8-16-29(31)20-22-33(35)27-13-5-2-6-14-27/h7-10,15-22,25-27H,1-6,11-14,23-24H2/q+1
InChIKey
PYEMDUXCDVVCEN-UHFFFAOYSA-N
Compound name
1,3-bis(2-cyclohexylnaphthalen-1-yl)-4,5-dihydroimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.3113 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.31858 230.0
[M+Na]+ 510.30052 230.5
[M-H]- 486.30402 241.1
[M+NH4]+ 505.34512 235.2
[M+K]+ 526.27446 214.7
[M+H-H2O]+ 470.30856 216.2
[M+HCOO]- 532.30950 238.0
[M+CH3COO]- 546.32515 233.2
[M+Na-2H]- 508.28597 226.8
[M]+ 487.31075 218.2
[M]- 487.31185 218.2
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.