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]+ 294.16008 169.0
[M+Na]+ 316.14202 175.7
[M-H]- 292.14552 175.8
[M+NH4]+ 311.18662 182.4
[M+K]+ 332.11596 170.6
[M+H-H2O]+ 276.15006 158.8
[M+HCOO]- 338.15100 191.2
[M+CH3COO]- 352.16665 179.9
[M+Na-2H]- 314.12747 171.7
[M]+ 293.15225 168.6
[M]- 293.15335 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.