CID 509079

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

Structural Information

Molecular Formula
C14H14N5O
SMILES
C1CCN(C1)C(=O)C2=C(N=C(N2)C3=CC=CC=C3)[N+]#N
InChI
InChI=1S/C14H13N5O/c15-18-13-11(14(20)19-8-4-5-9-19)16-12(17-13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2/p+1
InChIKey
RHRSBXHMCMDAMV-UHFFFAOYSA-O
Compound name
2-phenyl-5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.11984 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12712 163.5
[M+Na]+ 291.10906 171.3
[M-H]- 267.11256 167.0
[M+NH4]+ 286.15366 175.7
[M+K]+ 307.08300 160.8
[M+H-H2O]+ 251.11710 148.3
[M+HCOO]- 313.11804 179.7
[M+CH3COO]- 327.13369 201.0
[M+Na-2H]- 289.09451 166.0
[M]+ 268.11929 153.7
[M]- 268.12039 153.7
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.