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]+ 340.16558 178.6
[M+Na]+ 362.14752 180.9
[M-H]- 338.15102 186.1
[M+NH4]+ 357.19212 190.6
[M+K]+ 378.12146 177.4
[M+H-H2O]+ 322.15556 168.4
[M+HCOO]- 384.15650 200.3
[M+CH3COO]- 398.17215 211.6
[M+Na-2H]- 360.13297 180.1
[M]+ 339.15775 175.5
[M]- 339.15885 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.