CID 199065

F 2348

Structural Information

Molecular Formula
C12H13ClN6
SMILES
CC1=C(C(=NN1C(=N)N)C)N=NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN6/c1-7-11(8(2)19(18-7)12(14)15)17-16-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H3,14,15)
InChIKey
GNCFGTVRDKOUMM-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)diazenyl]-3,5-dimethylpyrazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.08902 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09630 165.0
[M+Na]+ 299.07824 174.6
[M-H]- 275.08174 172.4
[M+NH4]+ 294.12284 181.5
[M+K]+ 315.05218 169.9
[M+H-H2O]+ 259.08628 156.0
[M+HCOO]- 321.08722 189.3
[M+CH3COO]- 335.10287 211.9
[M+Na-2H]- 297.06369 168.5
[M]+ 276.08847 166.6
[M]- 276.08957 166.6
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.