CID 500008

2-((triphenylphosphoranyl)methyl)-1h-benzimidazole

Structural Information

Molecular Formula
C26H22N2P
SMILES
C1=CC=C(C=C1)[P+](CC2=NC3=CC=CC=C3N2)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H22N2P/c1-4-12-21(13-5-1)29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)20-26-27-24-18-10-11-19-25(24)28-26/h1-19H,20H2,(H,27,28)/q+1
InChIKey
MZSIXDLTHTWYGL-UHFFFAOYSA-N
Compound name
1H-benzimidazol-2-ylmethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.15207 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15935 202.1
[M+Na]+ 416.14129 206.9
[M-H]- 392.14479 210.0
[M+NH4]+ 411.18589 210.9
[M+K]+ 432.11523 192.8
[M+H-H2O]+ 376.14933 190.2
[M+HCOO]- 438.15027 224.2
[M+CH3COO]- 452.16592 209.5
[M+Na-2H]- 414.12674 206.1
[M]+ 393.15152 198.2
[M]- 393.15262 198.2
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.