CID 60014

105503-38-6

Structural Information

Molecular Formula
C34H54Cl2N4O2
SMILES
CC[N+](CC)(CCCCCNC(=O)C(=O)NCCCCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl
InChI
InChI=1S/C34H52Cl2N4O2/c1-5-39(6-2,27-29-19-11-13-21-31(29)35)25-17-9-15-23-37-33(41)34(42)38-24-16-10-18-26-40(7-3,8-4)28-30-20-12-14-22-32(30)36/h11-14,19-22H,5-10,15-18,23-28H2,1-4H3/p+2
InChIKey
CWGLYERDLZCSKX-UHFFFAOYSA-P
Compound name
(2-chlorophenyl)methyl-[5-[[2-[5-[(2-chlorophenyl)methyl-diethylazaniumyl]pentylamino]-2-oxoacetyl]amino]pentyl]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.36237 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.36965 260.3
[M+Na]+ 643.35159 271.9
[M+NH4]+ 638.39619 266.6
[M+K]+ 659.32553 272.0
[M-H]- 619.35509 267.7
[M+Na-2H]- 641.33704 265.9
[M]+ 620.36182 265.3
[M]- 620.36292 265.3
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.