CID 3652798

15917-88-1

Structural Information

Molecular Formula
C17H19NO3
SMILES
CCOC(=O)CNC1=CC=C(C=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C17H19NO3/c1-2-20-17(19)12-18-15-8-10-16(11-9-15)21-13-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChIKey
SXBRYBUOFKTAFF-UHFFFAOYSA-N
Compound name
ethyl 2-(4-phenylmethoxyanilino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.1365 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 166.6
[M+Na]+ 308.12572 171.7
[M-H]- 284.12922 172.7
[M+NH4]+ 303.17032 181.5
[M+K]+ 324.09966 168.7
[M+H-H2O]+ 268.13376 157.9
[M+HCOO]- 330.13470 190.8
[M+CH3COO]- 344.15035 202.5
[M+Na-2H]- 306.11117 171.4
[M]+ 285.13595 169.1
[M]- 285.13705 169.1
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

patents stripe