CID 53426585

5-diazoimidazole-4-carboxamide

Structural Information

Molecular Formula
C4H3N5O
SMILES
C1=NC(=[N+]=[N-])C(=N1)C(=O)N
InChI
InChI=1S/C4H3N5O/c5-3(10)2-4(9-6)8-1-7-2/h1H,(H2,5,10)
InChIKey
IKZLMSPFYNDYIL-UHFFFAOYSA-N
Compound name
5-diazoimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

75
Patents

137.03375 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.041026 121.7
[M+Na]+ 160.022968 130.1
[M-H]- 136.026474 124.4
[M+NH4]+ 155.067573 141.6
[M+K]+ 175.996908 124.4
[M+H-H2O]+ 120.031010 118.8
[M+HCOO]- 182.031951 150.2
[M+CH3COO]- 196.047601 170.8
[M+Na-2H]- 158.008416 131.2
[M]+ 137.03320142 116.8
[M]- 137.03429858 116.8
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

patents stripe