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]+ 200.09308 145.2
[M+Na]+ 222.07502 155.7
[M-H]- 198.07852 147.5
[M+NH4]+ 217.11962 160.4
[M+K]+ 238.04896 151.1
[M+H-H2O]+ 182.08306 129.9
[M+HCOO]- 244.08400 165.4
[M+CH3COO]- 258.09965 156.0
[M+Na-2H]- 220.06047 148.7
[M]+ 199.08525 137.1
[M]- 199.08635 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.