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 259.7
[M+Na]+ 643.35159 257.3
[M-H]- 619.35509 264.6
[M+NH4]+ 638.39619 262.7
[M+K]+ 659.32553 239.4
[M+H-H2O]+ 603.35963 254.8
[M+HCOO]- 665.36057 268.8
[M+CH3COO]- 679.37622 262.3
[M+Na-2H]- 641.33704 261.6
[M]+ 620.36182 266.2
[M]- 620.36292 266.2
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.