CID 18354174

1158652-41-5

Structural Information

Molecular Formula
C35H54N2
SMILES
CCC(CC)C1=C(C(=CC=C1)C(CC)CC)N2CN(C=C2)C3=C(C=CC=C3C(CC)CC)C(CC)CC
InChI
InChI=1S/C35H54N2/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/h17-24,26-29H,9-16,25H2,1-8H3
InChIKey
QOUWPPYOESXJJG-UHFFFAOYSA-N
Compound name
1,3-bis[2,6-di(pentan-3-yl)phenyl]-2H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

502.4287 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.43598 237.1
[M+Na]+ 525.41792 237.9
[M-H]- 501.42142 242.1
[M+NH4]+ 520.46252 243.0
[M+K]+ 541.39186 230.7
[M+H-H2O]+ 485.42596 225.5
[M+HCOO]- 547.42690 248.1
[M+CH3COO]- 561.44255 253.8
[M+Na-2H]- 523.40337 224.6
[M]+ 502.42815 240.6
[M]- 502.42925 240.6
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

patents stripe