CID 132398697

1-[(3-chlorophenyl)methyl]-3-[4-(1h-pyrazol-4-yl)phenyl]imidazolidin-2-one

Structural Information

Molecular Formula
C19H17ClN4O
SMILES
C1CN(C(=O)N1CC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C4=CNN=C4
InChI
InChI=1S/C19H17ClN4O/c20-17-3-1-2-14(10-17)13-23-8-9-24(19(23)25)18-6-4-15(5-7-18)16-11-21-22-12-16/h1-7,10-12H,8-9,13H2,(H,21,22)
InChIKey
MBMZNISWCQSMJO-UHFFFAOYSA-N
Compound name
1-[(3-chlorophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1091 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11638 183.2
[M+Na]+ 375.09832 191.8
[M-H]- 351.10182 189.7
[M+NH4]+ 370.14292 193.8
[M+K]+ 391.07226 183.5
[M+H-H2O]+ 335.10636 171.5
[M+HCOO]- 397.10730 195.8
[M+CH3COO]- 411.12295 192.4
[M+Na-2H]- 373.08377 180.9
[M]+ 352.10855 182.0
[M]- 352.10965 182.0
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.