CID 88972

21616-31-9

Structural Information

Molecular Formula
C26H25ClN4O2
SMILES
C1CN(CCN1CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H25ClN4O2/c27-22-11-13-23(14-12-22)30-17-15-29(16-18-30)19-31-24(32)26(28-25(31)33,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14H,15-19H2,(H,28,33)
InChIKey
KNXYRPPXCIGGMD-UHFFFAOYSA-N
Compound name
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.1666 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.17388 213.2
[M+Na]+ 483.15582 218.9
[M-H]- 459.15932 221.1
[M+NH4]+ 478.20042 218.4
[M+K]+ 499.12976 209.4
[M+H-H2O]+ 443.16386 198.4
[M+HCOO]- 505.16480 219.7
[M+CH3COO]- 519.18045 218.8
[M+Na-2H]- 481.14127 209.8
[M]+ 460.16605 207.9
[M]- 460.16715 207.9
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.