CID 462502

{isoquinolyl[4-benzylphenyl]methyl}imidazole

Structural Information

Molecular Formula
C26H21N3
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)C(C3=NC=CC4=CC=CC=C43)N5C=CN=C5
InChI
InChI=1S/C26H21N3/c1-2-6-20(7-3-1)18-21-10-12-23(13-11-21)26(29-17-16-27-19-29)25-24-9-5-4-8-22(24)14-15-28-25/h1-17,19,26H,18H2
InChIKey
RYUOAQLVGNEMTM-UHFFFAOYSA-N
Compound name
1-[(4-benzylphenyl)-imidazol-1-ylmethyl]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.17355 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18083 192.3
[M+Na]+ 398.16277 199.7
[M-H]- 374.16627 201.5
[M+NH4]+ 393.20737 201.3
[M+K]+ 414.13671 190.6
[M+H-H2O]+ 358.17081 179.1
[M+HCOO]- 420.17175 211.3
[M+CH3COO]- 434.18740 201.3
[M+Na-2H]- 396.14822 196.6
[M]+ 375.17300 192.0
[M]- 375.17410 192.0
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.