CID 199061

F 2346

Structural Information

Molecular Formula
C13H16N6
SMILES
CC1=CC=C(C=C1)N=NC2=C(N(N=C2C)C(=N)N)C
InChI
InChI=1S/C13H16N6/c1-8-4-6-11(7-5-8)16-17-12-9(2)18-19(10(12)3)13(14)15/h4-7H,1-3H3,(H3,14,15)
InChIKey
MASZQAWHALSJSU-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-[(4-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]+ 257.150926 159.9
[M+Na]+ 279.132868 168.5
[M-H]- 255.136374 167.6
[M+NH4]+ 274.177473 176.5
[M+K]+ 295.106808 165.3
[M+H-H2O]+ 239.140910 150.4
[M+HCOO]- 301.141851 188.7
[M+CH3COO]- 315.157501 211.3
[M+Na-2H]- 277.118316 163.8
[M]+ 256.14310142 159.9
[M]- 256.14419858 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.