CID 114876

Chembl1188090

Structural Information

Molecular Formula
C19H25NO
SMILES
CCCN(CCC1=CC=CC=C1)CCC2=CC(=CC=C2)O
InChI
InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
InChIKey
QUZUPTMNMJTYGL-UHFFFAOYSA-N
Compound name
3-[2-[2-phenylethyl(propyl)amino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

69
References

2
Patents

283.1936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 171.3
[M+Na]+ 306.18282 184.6
[M+NH4]+ 301.22742 180.0
[M+K]+ 322.15676 175.4
[M-H]- 282.18632 176.9
[M+Na-2H]- 304.16827 180.4
[M]+ 283.19305 174.9
[M]- 283.19415 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe