CID 92132782

1157867-61-2

Structural Information

Molecular Formula
C35H53N2
SMILES
CCC(CC)C1=C(C(=CC=C1)C(CC)CC)N2C=C[N+](=C2)C3=C(C=CC=C3C(CC)CC)C(CC)CC
InChI
InChI=1S/C35H53N2/c1-9-26(10-2)30-19-17-20-31(27(11-3)12-4)34(30)36-23-24-37(25-36)35-32(28(13-5)14-6)21-18-22-33(35)29(15-7)16-8/h17-29H,9-16H2,1-8H3/q+1
InChIKey
XMIPECBSYYTXSK-UHFFFAOYSA-N
Compound name
1,3-bis[2,6-di(pentan-3-yl)phenyl]imidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

501.42087 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.42815 240.0
[M+Na]+ 524.41009 241.4
[M-H]- 500.41359 245.6
[M+NH4]+ 519.45469 245.7
[M+K]+ 540.38403 228.6
[M+H-H2O]+ 484.41813 230.9
[M+HCOO]- 546.41907 252.0
[M+CH3COO]- 560.43472 246.7
[M+Na-2H]- 522.39554 230.7
[M]+ 501.42032 243.5
[M]- 501.42142 243.5
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.