CID 213597

26786-94-7

Structural Information

Molecular Formula
C37H36N6O4
SMILES
CC1CN(CCN1CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)CN5C(=O)C(NC5=O)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C37H36N6O4/c1-27-24-40(25-42-32(44)36(38-34(42)46,28-14-6-2-7-15-28)29-16-8-3-9-17-29)22-23-41(27)26-43-33(45)37(39-35(43)47,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-21,27H,22-26H2,1H3,(H,38,46)(H,39,47)
InChIKey
UMQJWHSUSOWMCK-UHFFFAOYSA-N
Compound name
3-[[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

628.2798 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.28708 247.8
[M+Na]+ 651.26902 250.7
[M-H]- 627.27252 258.6
[M+NH4]+ 646.31362 244.6
[M+K]+ 667.24296 241.1
[M+H-H2O]+ 611.27706 230.3
[M+HCOO]- 673.27800 251.9
[M+CH3COO]- 687.29365 249.2
[M+Na-2H]- 649.25447 238.0
[M]+ 628.27925 239.1
[M]- 628.28035 239.1
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.