CID 60202

108021-63-2

Structural Information

Molecular Formula
C32H50Cl2N4O2
SMILES
CC[N+](CC)(CCNC(=O)CCCCC(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl
InChI
InChI=1S/C32H48Cl2N4O2/c1-5-37(6-2,25-27-15-9-11-17-29(27)33)23-21-35-31(39)19-13-14-20-32(40)36-22-24-38(7-3,8-4)26-28-16-10-12-18-30(28)34/h9-12,15-18H,5-8,13-14,19-26H2,1-4H3/p+2
InChIKey
FPKBRLIEBNIPIR-UHFFFAOYSA-P
Compound name
(2-chlorophenyl)methyl-[2-[[6-[2-[(2-chlorophenyl)methyl-diethylazaniumyl]ethylamino]-6-oxohexanoyl]amino]ethyl]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.33105 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.33833 250.8
[M+Na]+ 615.32027 249.2
[M-H]- 591.32377 256.0
[M+NH4]+ 610.36487 254.8
[M+K]+ 631.29421 231.6
[M+H-H2O]+ 575.32831 246.3
[M+HCOO]- 637.32925 260.5
[M+CH3COO]- 651.34490 257.4
[M+Na-2H]- 613.30572 253.6
[M]+ 592.33050 256.7
[M]- 592.33160 256.7
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.