CID 509087

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

Structural Information

Molecular Formula
C14H13ClN5O
SMILES
C1CCN(C1)C(=O)C2=C(N=C(N2)C3=CC=CC=C3Cl)[N+]#N
InChI
InChI=1S/C14H12ClN5O/c15-10-6-2-1-5-9(10)12-17-11(13(18-12)19-16)14(21)20-7-3-4-8-20/h1-2,5-6H,3-4,7-8H2/p+1
InChIKey
UXEGYORECMKQNB-UHFFFAOYSA-O
Compound name
2-(2-chlorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.08087 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08815 172.0
[M+Na]+ 325.07009 181.2
[M-H]- 301.07359 175.5
[M+NH4]+ 320.11469 184.0
[M+K]+ 341.04403 169.3
[M+H-H2O]+ 285.07813 157.2
[M+HCOO]- 347.07907 184.0
[M+CH3COO]- 361.09472 205.2
[M+Na-2H]- 323.05554 173.2
[M]+ 302.08032 164.3
[M]- 302.08142 164.3
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.