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 183.6
[M+Na]+ 376.16317 186.4
[M-H]- 352.16667 191.3
[M+NH4]+ 371.20777 195.4
[M+K]+ 392.13711 182.8
[M+H-H2O]+ 336.17121 173.5
[M+HCOO]- 398.17215 205.0
[M+CH3COO]- 412.18780 215.8
[M+Na-2H]- 374.14862 183.9
[M]+ 353.17340 181.3
[M]- 353.17450 181.4
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.