CID 3059611

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

Structural Information

Molecular Formula
C20H23N3O3
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OCC(=O)N3CCCC3
InChI
InChI=1S/C20H23N3O3/c1-15-4-6-16(7-5-15)21-20(25)22-17-8-10-18(11-9-17)26-14-19(24)23-12-2-3-13-23/h4-11H,2-3,12-14H2,1H3,(H2,21,22,25)
InChIKey
AYSOVKCGYMYZQD-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.17395 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 186.1
[M+Na]+ 376.16317 195.7
[M+NH4]+ 371.20777 192.0
[M+K]+ 392.13711 191.4
[M-H]- 352.16667 190.8
[M+Na-2H]- 374.14862 192.9
[M]+ 353.17340 188.3
[M]- 353.17450 188.3
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.