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]+ 422.21868 200.9
[M+Na]+ 444.20062 202.9
[M-H]- 420.20412 204.5
[M+NH4]+ 439.24522 205.9
[M+K]+ 460.17456 195.7
[M+H-H2O]+ 404.20866 188.3
[M+HCOO]- 466.20960 211.2
[M+CH3COO]- 480.22525 205.7
[M+Na-2H]- 442.18607 199.4
[M]+ 421.21085 192.2
[M]- 421.21195 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.