CID 3076594

Alpha-((2-(dimethylamino)ethoxy)methyl)-4-phenoxybenzenemethanol hydrochloride

Structural Information

Molecular Formula
C18H23NO3
SMILES
CN(C)CCOCC(C1=CC=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C18H23NO3/c1-19(2)12-13-21-14-18(20)15-8-10-17(11-9-15)22-16-6-4-3-5-7-16/h3-11,18,20H,12-14H2,1-2H3
InChIKey
FFVSPZUZWNLPLC-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

301.1678 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 172.5
[M+Na]+ 324.15702 176.5
[M-H]- 300.16052 178.4
[M+NH4]+ 319.20162 186.7
[M+K]+ 340.13096 174.4
[M+H-H2O]+ 284.16506 163.7
[M+HCOO]- 346.16600 195.1
[M+CH3COO]- 360.18165 207.8
[M+Na-2H]- 322.14247 175.6
[M]+ 301.16725 175.6
[M]- 301.16835 175.6
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