CID 17598

(oxalylbis(iminoethylene))bis(diethyl(o-fluorobenzyl)ammonium iodide)

Structural Information

Molecular Formula
C28H42F2N4O2
SMILES
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1F)CC2=CC=CC=C2F
InChI
InChI=1S/C28H40F2N4O2/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
ULNPMRFTOGYOGV-UHFFFAOYSA-P
Compound name
2-[[2-[2-[diethyl-[(2-fluorophenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-fluorophenyl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.32758 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.33486 215.9
[M+Na]+ 527.31680 225.4
[M+NH4]+ 522.36140 221.2
[M+K]+ 543.29074 220.0
[M-H]- 503.32030 220.5
[M+Na-2H]- 525.30225 222.3
[M]+ 504.32703 218.9
[M]- 504.32813 218.9
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.