CID 199057

F 2344

Structural Information

Molecular Formula
C12H14N6
SMILES
CC1=C(C(=NN1C(=N)N)C)N=NC2=CC=CC=C2
InChI
InChI=1S/C12H14N6/c1-8-11(9(2)18(17-8)12(13)14)16-15-10-6-4-3-5-7-10/h3-7H,1-2H3,(H3,13,14)
InChIKey
LLNIQHYRZCATKW-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-phenyldiazenylpyrazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

242.12799 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.135266 154.6
[M+Na]+ 265.117208 162.6
[M-H]- 241.120714 162.0
[M+NH4]+ 260.161813 171.4
[M+K]+ 281.091148 159.7
[M+H-H2O]+ 225.125250 144.9
[M+HCOO]- 287.126191 183.7
[M+CH3COO]- 301.141841 207.0
[M+Na-2H]- 263.102656 159.8
[M]+ 242.12744142 153.8
[M]- 242.12853858 153.8
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

patents stripe