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

21
Patents

242.12799 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13527 154.6
[M+Na]+ 265.11721 162.6
[M-H]- 241.12071 162.0
[M+NH4]+ 260.16181 171.4
[M+K]+ 281.09115 159.7
[M+H-H2O]+ 225.12525 144.9
[M+HCOO]- 287.12619 183.7
[M+CH3COO]- 301.14184 207.0
[M+Na-2H]- 263.10266 159.8
[M]+ 242.12744 153.8
[M]- 242.12854 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