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]+ 354.181226 183.6
[M+Na]+ 376.163168 186.4
[M-H]- 352.166674 191.3
[M+NH4]+ 371.207773 195.4
[M+K]+ 392.137108 182.8
[M+H-H2O]+ 336.171210 173.5
[M+HCOO]- 398.172151 205.0
[M+CH3COO]- 412.187801 215.8
[M+Na-2H]- 374.148616 183.9
[M]+ 353.17340142 181.4
[M]- 353.17449858 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.