CID 3017894

1h-pyrazole-1-carboximidamide, 4,5-dihydro-4-((2-methoxy-5-methylphenyl)azo)-3-methyl-5-oxo-, monohydrochloride

Structural Information

Molecular Formula
C13H16N6O2
SMILES
CC1=CC(=C(C=C1)OC)N=NC2C(=NN(C2=O)C(=N)N)C
InChI
InChI=1S/C13H16N6O2/c1-7-4-5-10(21-3)9(6-7)16-17-11-8(2)18-19(12(11)20)13(14)15/h4-6,11H,1-3H3,(H3,14,15)
InChIKey
AJFGAWSAGZUGNK-UHFFFAOYSA-N
Compound name
4-[(2-methoxy-5-methylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.13348 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14076 165.8
[M+Na]+ 311.12270 174.1
[M-H]- 287.12620 173.5
[M+NH4]+ 306.16730 181.0
[M+K]+ 327.09664 171.8
[M+H-H2O]+ 271.13074 156.3
[M+HCOO]- 333.13168 193.7
[M+CH3COO]- 347.14733 216.7
[M+Na-2H]- 309.10815 168.2
[M]+ 288.13293 166.8
[M]- 288.13403 166.8
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.