CID 3088574

1-imidazolidineacetamide, 2,5-dioxo-4,4-diphenyl-n-(2-(1-piperazinyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H27N5O3
SMILES
C1CN(CCN1)CCNC(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27N5O3/c29-20(25-13-16-27-14-11-24-12-15-27)17-28-21(30)23(26-22(28)31,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,24H,11-17H2,(H,25,29)(H,26,31)
InChIKey
VSTLHPGSTNYOLO-UHFFFAOYSA-N
Compound name
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.2114 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.218676 200.9
[M+Na]+ 444.200618 202.9
[M-H]- 420.204124 204.5
[M+NH4]+ 439.245223 205.9
[M+K]+ 460.174558 195.7
[M+H-H2O]+ 404.208660 188.3
[M+HCOO]- 466.209601 211.2
[M+CH3COO]- 480.225251 205.7
[M+Na-2H]- 442.186066 199.4
[M]+ 421.21085142 192.2
[M]- 421.21194858 192.2
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.