CID 6481265

Chembl20269

Structural Information

Molecular Formula
C18H19N3O
SMILES
COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)N)N3C=CN=C3
InChI
InChI=1S/C18H19N3O/c1-22-17-8-4-15(5-9-17)18(21-11-10-20-13-21)12-14-2-6-16(19)7-3-14/h2-11,13,18H,12,19H2,1H3
InChIKey
FFFBIUUGDRJGDN-UHFFFAOYSA-N
Compound name
4-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.1528 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 169.0
[M+Na]+ 316.142018 175.7
[M-H]- 292.145524 175.8
[M+NH4]+ 311.186623 182.4
[M+K]+ 332.115958 170.6
[M+H-H2O]+ 276.150060 158.8
[M+HCOO]- 338.151001 191.2
[M+CH3COO]- 352.166651 179.9
[M+Na-2H]- 314.127466 171.7
[M]+ 293.15225142 168.6
[M]- 293.15334858 168.6
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.