CID 3065712

Pyrrolidinium, 1,1'-(oxalylbis(iminoethylene))bis(1-(o-chlorobenzyl)-, dichloride

Structural Information

Molecular Formula
C28H38Cl2N4O2
SMILES
C1CC[N+](C1)(CCNC(=O)C(=O)NCC[N+]2(CCCC2)CC3=CC=CC=C3Cl)CC4=CC=CC=C4Cl
InChI
InChI=1S/C28H36Cl2N4O2/c29-25-11-3-1-9-23(25)21-33(15-5-6-16-33)19-13-31-27(35)28(36)32-14-20-34(17-7-8-18-34)22-24-10-2-4-12-26(24)30/h1-4,9-12H,5-8,13-22H2/p+2
InChIKey
BDNZUYNIUXUUGQ-UHFFFAOYSA-P
Compound name
N,N'-bis[2-[1-[(2-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]ethyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.2372 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.24448 229.8
[M+Na]+ 555.22642 229.5
[M-H]- 531.22992 236.6
[M+NH4]+ 550.27102 238.6
[M+K]+ 571.20036 211.1
[M+H-H2O]+ 515.23446 223.7
[M+HCOO]- 577.23540 235.0
[M+CH3COO]- 591.25105 228.3
[M+Na-2H]- 553.21187 229.0
[M]+ 532.23665 225.5
[M]- 532.23775 225.5
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.