CID 510027

1,3-diphenethyl-2h-benzimidazole

Structural Information

Molecular Formula
C23H24N2
SMILES
C1N(C2=CC=CC=C2N1CCC3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C23H24N2/c1-3-9-20(10-4-1)15-17-24-19-25(23-14-8-7-13-22(23)24)18-16-21-11-5-2-6-12-21/h1-14H,15-19H2
InChIKey
NMNOTNOPXAWHGL-UHFFFAOYSA-N
Compound name
1,3-bis(2-phenylethyl)-2H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.19394 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20122 181.7
[M+Na]+ 351.18316 187.7
[M-H]- 327.18666 188.5
[M+NH4]+ 346.22776 194.9
[M+K]+ 367.15710 180.1
[M+H-H2O]+ 311.19120 170.4
[M+HCOO]- 373.19214 200.6
[M+CH3COO]- 387.20779 191.2
[M+Na-2H]- 349.16861 184.5
[M]+ 328.19339 180.7
[M]- 328.19449 180.7
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.