CID 3051224

Phenol, 2-((2-(4-(methylamino)butoxy)phenyl)methyl)-, hydrochloride

Structural Information

Molecular Formula
C18H23NO2
SMILES
CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2O
InChI
InChI=1S/C18H23NO2/c1-19-12-6-7-13-21-18-11-5-3-9-16(18)14-15-8-2-4-10-17(15)20/h2-5,8-11,19-20H,6-7,12-14H2,1H3
InChIKey
PIWYMWIQGJPQAX-UHFFFAOYSA-N
Compound name
2-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

285.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.4
[M+Na]+ 308.16210 173.7
[M-H]- 284.16560 173.2
[M+NH4]+ 303.20670 183.1
[M+K]+ 324.13604 169.0
[M+H-H2O]+ 268.17014 160.1
[M+HCOO]- 330.17108 191.4
[M+CH3COO]- 344.18673 202.7
[M+Na-2H]- 306.14755 172.8
[M]+ 285.17233 169.9
[M]- 285.17343 169.9
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