CID 44146858

Einecs 303-560-7

Structural Information

Molecular Formula
C10H11N5O
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=N2)C(=N)N)N
InChI
InChI=1S/C10H11N5O/c11-7-8(9(12)13)14-15(10(7)16)6-4-2-1-3-5-6/h1-5,7H,11H2,(H3,12,13)
InChIKey
BQBYXCSTZYSCSP-UHFFFAOYSA-N
Compound name
4-amino-5-oxo-1-phenyl-4H-pyrazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09636 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.103636 146.4
[M+Na]+ 240.085578 154.1
[M-H]- 216.089084 150.6
[M+NH4]+ 235.130183 162.7
[M+K]+ 256.059518 150.4
[M+H-H2O]+ 200.093620 138.0
[M+HCOO]- 262.094561 170.4
[M+CH3COO]- 276.110211 194.4
[M+Na-2H]- 238.071026 149.3
[M]+ 217.09581142 141.1
[M]- 217.09690858 141.1
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.