CID 6445056

19967-81-8

Structural Information

Molecular Formula
C30H34N6O4
SMILES
CC1(NC(=O)N(C1=O)CN2CCN(CC2)CN3C(=O)NC(C3=O)(/C=C/C4=CC=CC=C4)C)/C=C/C5=CC=CC=C5
InChI
InChI=1S/C30H34N6O4/c1-29(15-13-23-9-5-3-6-10-23)25(37)35(27(39)31-29)21-33-17-19-34(20-18-33)22-36-26(38)30(2,32-28(36)40)16-14-24-11-7-4-8-12-24/h3-16H,17-22H2,1-2H3,(H,31,39)(H,32,40)/b15-13+,16-14+
InChIKey
SSCVRNGAQAWCOW-WXUKJITCSA-N
Compound name
5-methyl-3-[[4-[[4-methyl-2,5-dioxo-4-[(E)-2-phenylethenyl]imidazolidin-1-yl]methyl]piperazin-1-yl]methyl]-5-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.26416 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.27144 232.2
[M+Na]+ 565.25338 236.3
[M-H]- 541.25688 237.2
[M+NH4]+ 560.29798 233.9
[M+K]+ 581.22732 227.0
[M+H-H2O]+ 525.26142 218.6
[M+HCOO]- 587.26236 237.3
[M+CH3COO]- 601.27801 235.0
[M+Na-2H]- 563.23883 222.8
[M]+ 542.26361 224.9
[M]- 542.26471 224.9
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.