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 258.4
[M+Na]+ 743.12892 244.3
[M-H]- 719.13242 252.4
[M+NH4]+ 738.17352 255.8
[M+K]+ 759.10286 243.2
[M+H-H2O]+ 703.13696 245.9
[M+HCOO]- 765.13790 265.9
[M+CH3COO]- 779.15355 253.2
[M+Na-2H]- 741.11437 243.6
[M]+ 720.13915 253.1
[M]- 720.14025 253.1
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.