CID 89525

21616-34-2

Structural Information

Molecular Formula
C21H23ClN4O2
SMILES
CC1(C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H23ClN4O2/c1-21(16-5-3-2-4-6-16)19(27)26(20(28)23-21)15-24-11-13-25(14-12-24)18-9-7-17(22)8-10-18/h2-10H,11-15H2,1H3,(H,23,28)
InChIKey
UAKLTFBWZYUSKE-UHFFFAOYSA-N
Compound name
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.15094 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15822 196.9
[M+Na]+ 421.14016 203.8
[M-H]- 397.14366 202.2
[M+NH4]+ 416.18476 205.5
[M+K]+ 437.11410 195.6
[M+H-H2O]+ 381.14820 184.4
[M+HCOO]- 443.14914 204.1
[M+CH3COO]- 457.16479 204.0
[M+Na-2H]- 419.12561 194.1
[M]+ 398.15039 192.6
[M]- 398.15149 192.6
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.