CID 49768208

Schembl1959601

Structural Information

Molecular Formula
C21H19N3
SMILES
C1=CC=C(C=C1)CCN2C=CC3=NC(=NC3=C2)CC4=CC=CC=C4
InChI
InChI=1S/C21H19N3/c1-3-7-17(8-4-1)11-13-24-14-12-19-20(16-24)23-21(22-19)15-18-9-5-2-6-10-18/h1-10,12,14,16H,11,13,15H2
InChIKey
SZMJOYFDAGOGDH-UHFFFAOYSA-N
Compound name
2-benzyl-5-(2-phenylethyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

313.1579 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16518 176.0
[M+Na]+ 336.14712 184.0
[M-H]- 312.15062 182.3
[M+NH4]+ 331.19172 188.6
[M+K]+ 352.12106 176.4
[M+H-H2O]+ 296.15516 164.3
[M+HCOO]- 358.15610 195.6
[M+CH3COO]- 372.17175 186.3
[M+Na-2H]- 334.13257 181.0
[M]+ 313.15735 176.3
[M]- 313.15845 176.3
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