CID 15981

Alpha-(2-(2-pyridylamino)ethyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C14H16N2O
SMILES
C1=CC=C(C=C1)C(CCNC2=CC=CC=N2)O
InChI
InChI=1S/C14H16N2O/c17-13(12-6-2-1-3-7-12)9-11-16-14-8-4-5-10-15-14/h1-8,10,13,17H,9,11H2,(H,15,16)
InChIKey
HLIOOIHXCHGQGA-UHFFFAOYSA-N
Compound name
1-phenyl-3-(pyridin-2-ylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 151.5
[M+Na]+ 251.11549 156.5
[M-H]- 227.11899 154.9
[M+NH4]+ 246.16009 166.6
[M+K]+ 267.08943 152.4
[M+H-H2O]+ 211.12353 143.1
[M+HCOO]- 273.12447 173.4
[M+CH3COO]- 287.14012 189.8
[M+Na-2H]- 249.10094 158.5
[M]+ 228.12572 149.3
[M]- 228.12682 149.3
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