CID 58231

101247-77-2

Structural Information

Molecular Formula
C18H23NO2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCNCCO
InChI
InChI=1S/C18H23NO2/c20-14-13-19-12-4-7-16-8-10-18(11-9-16)21-15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20H,4,7,12-15H2
InChIKey
MQCQTZCWPYIRJR-UHFFFAOYSA-N
Compound name
2-[3-(4-phenylmethoxyphenyl)propylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.1
[M+Na]+ 308.16210 172.4
[M-H]- 284.16560 172.5
[M+NH4]+ 303.20670 182.5
[M+K]+ 324.13604 167.7
[M+H-H2O]+ 268.17014 159.6
[M+HCOO]- 330.17108 191.1
[M+CH3COO]- 344.18673 201.6
[M+Na-2H]- 306.14755 173.2
[M]+ 285.17233 169.2
[M]- 285.17343 169.2
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.