CID 113713

63680-71-7

Structural Information

Molecular Formula
C19H24N2O2
SMILES
C1CC2=CC=CC=C2NC1CNCC(COC3=CC=CC=C3)O
InChI
InChI=1S/C19H24N2O2/c22-17(14-23-18-7-2-1-3-8-18)13-20-12-16-11-10-15-6-4-5-9-19(15)21-16/h1-9,16-17,20-22H,10-14H2
InChIKey
PUEZEZBVQGFDBW-UHFFFAOYSA-N
Compound name
1-phenoxy-3-(1,2,3,4-tetrahydroquinolin-2-ylmethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 172.9
[M+Na]+ 335.17300 175.2
[M-H]- 311.17650 174.7
[M+NH4]+ 330.21760 184.5
[M+K]+ 351.14694 169.6
[M+H-H2O]+ 295.18104 163.6
[M+HCOO]- 357.18198 188.5
[M+CH3COO]- 371.19763 204.1
[M+Na-2H]- 333.15845 177.5
[M]+ 312.18323 168.2
[M]- 312.18433 168.2
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.