CID 207128

Brn 2666641

Structural Information

Molecular Formula
C18H21NO3
SMILES
CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C18H21NO3/c1-19(2)12-13-22-17(14-8-4-3-5-9-14)15-10-6-7-11-16(15)18(20)21/h3-11,17H,12-13H2,1-2H3,(H,20,21)
InChIKey
WUUSQCWWYKMINX-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy-phenylmethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 171.4
[M+Na]+ 322.14135 183.2
[M+NH4]+ 317.18595 178.5
[M+K]+ 338.11529 177.0
[M-H]- 298.14485 175.3
[M+Na-2H]- 320.12680 179.0
[M]+ 299.15158 174.1
[M]- 299.15268 174.1
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.