CID 24844261

F 2351

Structural Information

Molecular Formula
C12H14N6O
SMILES
CC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=N)N)C
InChI
InChI=1S/C12H14N6O/c1-7-3-5-9(6-4-7)15-16-10-8(2)17-18(11(10)19)12(13)14/h3-6,10H,1-2H3,(H3,13,14)
InChIKey
LTOZIVZHGLBRGK-UHFFFAOYSA-N
Compound name
3-methyl-4-[(4-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1229 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13018 158.3
[M+Na]+ 281.11212 166.3
[M-H]- 257.11562 165.8
[M+NH4]+ 276.15672 174.5
[M+K]+ 297.08606 163.6
[M+H-H2O]+ 241.12016 148.8
[M+HCOO]- 303.12110 186.3
[M+CH3COO]- 317.13675 210.1
[M+Na-2H]- 279.09757 161.8
[M]+ 258.12235 157.1
[M]- 258.12345 157.1
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.