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]+ 294.160076 168.1
[M+Na]+ 316.142018 173.3
[M-H]- 292.145524 173.1
[M+NH4]+ 311.186623 180.5
[M+K]+ 332.115958 167.4
[M+H-H2O]+ 276.150060 158.0
[M+HCOO]- 338.151001 188.7
[M+CH3COO]- 352.166651 177.9
[M+Na-2H]- 314.127466 171.2
[M]+ 293.15225142 165.4
[M]- 293.15334858 165.4
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