CID 509089

2-(2,4-dichlorophenyl)-5-(pyrrolidine-1-carbonyl)-1h-imidazole-4-diazonium

Structural Information

Molecular Formula
C14H12Cl2N5O
SMILES
C1CCN(C1)C(=O)C2=C(N=C(N2)C3=C(C=C(C=C3)Cl)Cl)[N+]#N
InChI
InChI=1S/C14H11Cl2N5O/c15-8-3-4-9(10(16)7-8)12-18-11(13(19-12)20-17)14(22)21-5-1-2-6-21/h3-4,7H,1-2,5-6H2/p+1
InChIKey
ZJUOPQSRKQYSIO-UHFFFAOYSA-O
Compound name
2-(2,4-dichlorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.0419 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.04918 179.8
[M+Na]+ 359.03112 189.9
[M-H]- 335.03462 182.8
[M+NH4]+ 354.07572 191.1
[M+K]+ 375.00506 177.2
[M+H-H2O]+ 319.03916 165.5
[M+HCOO]- 381.04010 187.0
[M+CH3COO]- 395.05575 210.1
[M+Na-2H]- 357.01657 179.4
[M]+ 336.04135 173.4
[M]- 336.04245 173.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.