CID 207048

Brn 2886457

Structural Information

Molecular Formula
C18H21NO3
SMILES
CCOCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2C)C
InChI
InChI=1S/C18H21NO3/c1-4-21-12-22-18(20)15-9-5-6-10-17(15)19-16-11-7-8-13(2)14(16)3/h5-11,19H,4,12H2,1-3H3
InChIKey
CLWUZCKPXYACHA-UHFFFAOYSA-N
Compound name
ethoxymethyl 2-(2,3-dimethylanilino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 170.9
[M+Na]+ 322.14135 177.5
[M-H]- 298.14485 177.7
[M+NH4]+ 317.18595 185.9
[M+K]+ 338.11529 174.4
[M+H-H2O]+ 282.14939 162.5
[M+HCOO]- 344.15033 194.7
[M+CH3COO]- 358.16598 207.9
[M+Na-2H]- 320.12680 173.8
[M]+ 299.15158 174.7
[M]- 299.15268 174.7
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.