CID 75202368

Schembl15809488

Structural Information

Molecular Formula
C18H23NO2
SMILES
CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)CCO
InChI
InChI=1S/C18H23NO2/c1-19-13-11-18(16-5-3-2-4-6-16)21-17-9-7-15(8-10-17)12-14-20/h2-10,18-20H,11-14H2,1H3
InChIKey
GIGVAWWBRRBBAJ-UHFFFAOYSA-N
Compound name
2-[4-[3-(methylamino)-1-phenylpropoxy]phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

285.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 168.9
[M+Na]+ 308.162098 173.0
[M-H]- 284.165604 173.4
[M+NH4]+ 303.206703 183.2
[M+K]+ 324.136038 168.8
[M+H-H2O]+ 268.170140 160.6
[M+HCOO]- 330.171081 190.9
[M+CH3COO]- 344.186731 202.4
[M+Na-2H]- 306.147546 172.8
[M]+ 285.17233142 169.4
[M]- 285.17342858 169.4
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