CID 3059610

Pyrrolidine, 1-((4-(((phenylamino)carbonyl)amino)phenoxy)acetyl)-

Structural Information

Molecular Formula
C19H21N3O3
SMILES
C1CCN(C1)C(=O)COC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H21N3O3/c23-18(22-12-4-5-13-22)14-25-17-10-8-16(9-11-17)21-19(24)20-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2,(H2,20,21,24)
InChIKey
GTKPJMWPFIVETK-UHFFFAOYSA-N
Compound name
1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.165576 178.6
[M+Na]+ 362.147518 180.9
[M-H]- 338.151024 186.1
[M+NH4]+ 357.192123 190.6
[M+K]+ 378.121458 177.4
[M+H-H2O]+ 322.155560 168.4
[M+HCOO]- 384.156501 200.3
[M+CH3COO]- 398.172151 211.6
[M+Na-2H]- 360.132966 180.1
[M]+ 339.15775142 175.5
[M]- 339.15884858 175.5
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.