CID 4646667

5-amino-3-[(4-methoxyphenyl)amino]-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C11H11N5O
SMILES
COC1=CC=C(C=C1)NC2=NNC(=C2C#N)N
InChI
InChI=1S/C11H11N5O/c1-17-8-4-2-7(3-5-8)14-11-9(6-12)10(13)15-16-11/h2-5H,1H3,(H4,13,14,15,16)
InChIKey
FLMZLZRMLJQFJA-UHFFFAOYSA-N
Compound name
5-amino-3-(4-methoxyanilino)-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

229.09636 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10364 154.0
[M+Na]+ 252.08558 164.3
[M+NH4]+ 247.13018 157.1
[M+K]+ 268.05952 157.5
[M-H]- 228.08908 149.1
[M+Na-2H]- 250.07103 157.5
[M]+ 229.09581 152.9
[M]- 229.09691 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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