CID 60175

Ammonium, (oxalylbis(iminoethylene))bis(diethyl(o-iodobenzyl)-, dibromide

Structural Information

Molecular Formula
C28H42I2N4O2
SMILES
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1I)CC2=CC=CC=C2I
InChI
InChI=1S/C28H40I2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2
InChIKey
QGLLBFPNQBGXBV-UHFFFAOYSA-P
Compound name
2-[[2-[2-[diethyl-[(2-iodophenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-iodophenyl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

720.1397 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.14698 249.2
[M+Na]+ 743.12892 244.1
[M+NH4]+ 738.17352 246.7
[M+K]+ 759.10286 243.7
[M-H]- 719.13242 243.5
[M+Na-2H]- 741.11437 232.8
[M]+ 720.13915 245.4
[M]- 720.14025 245.4
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.