CID 199059

F 2345

Structural Information

Molecular Formula
C13H16N6
SMILES
CC1=CC(=CC=C1)N=NC2=C(N(N=C2C)C(=N)N)C
InChI
InChI=1S/C13H16N6/c1-8-5-4-6-11(7-8)16-17-12-9(2)18-19(10(12)3)13(14)15/h4-7H,1-3H3,(H3,14,15)
InChIKey
AYXDQTHPPHFPEL-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-[(3-methylphenyl)diazenyl]pyrazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.14365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15093 160.1
[M+Na]+ 279.13287 170.5
[M+NH4]+ 274.17747 166.6
[M+K]+ 295.10681 166.6
[M-H]- 255.13637 164.8
[M+Na-2H]- 277.11832 167.2
[M]+ 256.14310 162.5
[M]- 256.14420 162.5
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.