CID 21149575

82206-29-9

Structural Information

Molecular Formula
C19H20N2O3
SMILES
C1=CC=C(C=C1)N(CCC#N)CCOC(=O)COC2=CC=CC=C2
InChI
InChI=1S/C19H20N2O3/c20-12-7-13-21(17-8-3-1-4-9-17)14-15-23-19(22)16-24-18-10-5-2-6-11-18/h1-6,8-11H,7,13-16H2
InChIKey
IUUVJKBIGNPNMT-UHFFFAOYSA-N
Compound name
2-[N-(2-cyanoethyl)anilino]ethyl 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

324.1474 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.154676 180.1
[M+Na]+ 347.136618 186.2
[M-H]- 323.140124 185.1
[M+NH4]+ 342.181223 191.8
[M+K]+ 363.110558 181.8
[M+H-H2O]+ 307.144660 164.2
[M+HCOO]- 369.145601 200.0
[M+CH3COO]- 383.161251 220.9
[M+Na-2H]- 345.122066 182.9
[M]+ 324.14685142 178.2
[M]- 324.14794858 178.2
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

patents stripe