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 168.1
[M+Na]+ 316.14202 173.3
[M-H]- 292.14552 173.1
[M+NH4]+ 311.18662 180.5
[M+K]+ 332.11596 167.4
[M+H-H2O]+ 276.15006 158.0
[M+HCOO]- 338.15100 188.7
[M+CH3COO]- 352.16665 177.9
[M+Na-2H]- 314.12747 171.2
[M]+ 293.15225 165.4
[M]- 293.15335 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