CID 16780412

4-nitro-3-propyl-1h-pyrazole-5-carboxamide

Structural Information

Molecular Formula
C7H10N4O3
SMILES
CCCC1=C(C(=NN1)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C7H10N4O3/c1-2-3-4-6(11(13)14)5(7(8)12)10-9-4/h2-3H2,1H3,(H2,8,12)(H,9,10)
InChIKey
OEOQYHINYSQQOO-UHFFFAOYSA-N
Compound name
4-nitro-5-propyl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

198.07529 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08257 139.3
[M+Na]+ 221.06451 146.6
[M-H]- 197.06801 139.3
[M+NH4]+ 216.10911 155.7
[M+K]+ 237.03845 140.5
[M+H-H2O]+ 181.07255 136.9
[M+HCOO]- 243.07349 162.2
[M+CH3COO]- 257.08914 177.4
[M+Na-2H]- 219.04996 144.4
[M]+ 198.07474 135.9
[M]- 198.07584 135.9
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

patents stripe