CID 13134103

5-amino-1-(2-aminophenyl)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C10H9N5
SMILES
C1=CC=C(C(=C1)N)N2C(=C(C=N2)C#N)N
InChI
InChI=1S/C10H9N5/c11-5-7-6-14-15(10(7)13)9-4-2-1-3-8(9)12/h1-4,6H,12-13H2
InChIKey
MEIWOGPEWDAUKA-UHFFFAOYSA-N
Compound name
5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0858 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.093076 145.2
[M+Na]+ 222.075018 155.7
[M-H]- 198.078524 147.5
[M+NH4]+ 217.119623 160.4
[M+K]+ 238.048958 151.1
[M+H-H2O]+ 182.083060 129.9
[M+HCOO]- 244.084001 165.4
[M+CH3COO]- 258.099651 156.0
[M+Na-2H]- 220.060466 148.7
[M]+ 199.08525142 137.1
[M]- 199.08634858 137.1
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.