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
3
Annotation Hits

0
References

14
Patents

285.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.9
[M+Na]+ 308.16210 173.0
[M-H]- 284.16560 173.4
[M+NH4]+ 303.20670 183.2
[M+K]+ 324.13604 168.8
[M+H-H2O]+ 268.17014 160.6
[M+HCOO]- 330.17108 190.9
[M+CH3COO]- 344.18673 202.4
[M+Na-2H]- 306.14755 172.8
[M]+ 285.17233 169.4
[M]- 285.17343 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