CID 50177

F 1640

Structural Information

Molecular Formula
C16H19NO2
SMILES
COC1=CC=CC(=C1O)CNCCC2=CC=CC=C2
InChI
InChI=1S/C16H19NO2/c1-19-15-9-5-8-14(16(15)18)12-17-11-10-13-6-3-2-4-7-13/h2-9,17-18H,10-12H2,1H3
InChIKey
PVFQVUDQHCXCBD-UHFFFAOYSA-N
Compound name
2-methoxy-6-[(2-phenylethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

257.14157 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 159.3
[M+Na]+ 280.130788 165.5
[M-H]- 256.134294 164.5
[M+NH4]+ 275.175393 175.2
[M+K]+ 296.104728 161.3
[M+H-H2O]+ 240.138830 151.5
[M+HCOO]- 302.139771 183.0
[M+CH3COO]- 316.155421 196.7
[M+Na-2H]- 278.116236 164.8
[M]+ 257.14102142 160.1
[M]- 257.14211858 160.1
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