CID 76953

5-(3-methyltriazen-1-yl)imidazole-4-carboxamide

Structural Information

Molecular Formula
C5H8N6O
SMILES
CN=NNC1=C(NC=N1)C(=O)N
InChI
InChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)
InChIKey
MVBPAIHFZZKRGD-UHFFFAOYSA-N
Compound name
4-(2-methyliminohydrazinyl)-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

50
References

1389
Patents

168.07596 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08324 130.9
[M+Na]+ 191.06518 138.0
[M-H]- 167.06868 133.5
[M+NH4]+ 186.10978 149.5
[M+K]+ 207.03912 137.4
[M+H-H2O]+ 151.07322 122.3
[M+HCOO]- 213.07416 159.5
[M+CH3COO]- 227.08981 188.4
[M+Na-2H]- 189.05063 138.2
[M]+ 168.07541 128.6
[M]- 168.07651 128.6
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.