CID 57602377

(1s)-2-[4-(benzyloxy)phenyl]-1-(1h-imidazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C18H19N3O
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H](C3=NC=CN3)N
InChI
InChI=1S/C18H19N3O/c19-17(18-20-10-11-21-18)12-14-6-8-16(9-7-14)22-13-15-4-2-1-3-5-15/h1-11,17H,12-13,19H2,(H,20,21)/t17-/m0/s1
InChIKey
GMFOLSDKIGEICA-KRWDZBQOSA-N
Compound name
(1S)-1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

293.1528 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16008 170.9
[M+Na]+ 316.14202 183.9
[M+NH4]+ 311.18662 178.3
[M+K]+ 332.11596 178.1
[M-H]- 292.14552 176.0
[M+Na-2H]- 314.12747 180.5
[M]+ 293.15225 174.1
[M]- 293.15335 174.1
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