CID 209493

Brn 0739462

Structural Information

Molecular Formula
C30H34Br4N6O4
SMILES
CC1(C(=O)N(C(=O)N1)CN2CCN(CC2)CN3C(=O)C(NC3=O)(C)C(C(C4=CC=CC=C4)Br)Br)C(C(C5=CC=CC=C5)Br)Br
InChI
InChI=1S/C30H34Br4N6O4/c1-29(23(33)21(31)19-9-5-3-6-10-19)25(41)39(27(43)35-29)17-37-13-15-38(16-14-37)18-40-26(42)30(2,36-28(40)44)24(34)22(32)20-11-7-4-8-12-20/h3-12,21-24H,13-18H2,1-2H3,(H,35,43)(H,36,44)
InChIKey
KEMLBDMXFJHDEY-UHFFFAOYSA-N
Compound name
5-(1,2-dibromo-2-phenylethyl)-3-[[4-[[4-(1,2-dibromo-2-phenylethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

857.9375 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 858.94478 190.9
[M+Na]+ 880.92672 191.8
[M-H]- 856.93022 195.3
[M+NH4]+ 875.97132 194.1
[M+K]+ 896.90066 182.8
[M+H-H2O]+ 840.93476 209.8
[M+HCOO]- 902.93570 189.6
[M+CH3COO]- 916.95135 193.7
[M+Na-2H]- 878.91217 186.9
[M]+ 857.93695 226.4
[M]- 857.93805 226.4
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.