CID 121419

Pyridoxyphen

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CC1=NC=C(C(=C1O)CO)CNC(C)CC2=CC=CC=C2
InChI
InChI=1S/C17H22N2O2/c1-12(8-14-6-4-3-5-7-14)18-9-15-10-19-13(2)17(21)16(15)11-20/h3-7,10,12,18,20-21H,8-9,11H2,1-2H3
InChIKey
UDDSBCOQRRHWBZ-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-2-methyl-5-[(1-phenylpropan-2-ylamino)methyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

286.16812 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 169.2
[M+Na]+ 309.15734 175.1
[M-H]- 285.16084 171.9
[M+NH4]+ 304.20194 182.1
[M+K]+ 325.13128 170.2
[M+H-H2O]+ 269.16538 160.8
[M+HCOO]- 331.16632 188.7
[M+CH3COO]- 345.18197 202.1
[M+Na-2H]- 307.14279 171.8
[M]+ 286.16757 168.8
[M]- 286.16867 168.8
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.