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 159.9
[M+Na]+ 279.13287 168.5
[M-H]- 255.13637 167.6
[M+NH4]+ 274.17747 176.5
[M+K]+ 295.10681 165.3
[M+H-H2O]+ 239.14091 150.4
[M+HCOO]- 301.14185 188.7
[M+CH3COO]- 315.15750 211.3
[M+Na-2H]- 277.11832 163.8
[M]+ 256.14310 159.9
[M]- 256.14420 159.9
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.