CID 59918

Win 12306

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.33105 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.33833 251.8
[M+Na]+ 615.32027 263.8
[M+NH4]+ 610.36487 258.4
[M+K]+ 631.29421 254.9
[M-H]- 591.32377 259.2
[M+Na-2H]- 613.30572 257.9
[M]+ 592.33050 256.8
[M]- 592.33160 256.8
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.