CID 12659590

60725-36-2

Structural Information

Molecular Formula
C17H21NO2
SMILES
CN(CCO)CC1=CC=CC=C1C(C2=CC=CC=C2)O
InChI
InChI=1S/C17H21NO2/c1-18(11-12-19)13-15-9-5-6-10-16(15)17(20)14-7-3-2-4-8-14/h2-10,17,19-20H,11-13H2,1H3
InChIKey
NHTAQNXZFMZXBU-UHFFFAOYSA-N
Compound name
2-[[2-[hydroxy(phenyl)methyl]phenyl]methyl-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

271.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 164.9
[M+Na]+ 294.146448 169.0
[M-H]- 270.149954 169.6
[M+NH4]+ 289.191053 179.7
[M+K]+ 310.120388 165.7
[M+H-H2O]+ 254.154490 156.9
[M+HCOO]- 316.155431 186.2
[M+CH3COO]- 330.171081 200.3
[M+Na-2H]- 292.131896 168.0
[M]+ 271.15668142 164.4
[M]- 271.15777858 164.4
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