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 175.5
[M-H]- 298.14485 177.5
[M+NH4]+ 317.18595 185.5
[M+K]+ 338.11529 173.4
[M+H-H2O]+ 282.14939 162.9
[M+HCOO]- 344.15033 193.3
[M+CH3COO]- 358.16598 207.9
[M+Na-2H]- 320.12680 173.3
[M]+ 299.15158 173.2
[M]- 299.15268 173.2
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.