CID 199067

F 2349

Structural Information

Molecular Formula
C11H12N6O
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C(=N)N
InChI
InChI=1S/C11H12N6O/c1-7-9(10(18)17(16-7)11(12)13)15-14-8-5-3-2-4-6-8/h2-6,9H,1H3,(H3,12,13)
InChIKey
VAUHUTUJDLJNQO-UHFFFAOYSA-N
Compound name
3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.10725 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11453 152.9
[M+Na]+ 267.09647 160.5
[M-H]- 243.09997 160.2
[M+NH4]+ 262.14107 169.4
[M+K]+ 283.07041 158.0
[M+H-H2O]+ 227.10451 143.3
[M+HCOO]- 289.10545 181.4
[M+CH3COO]- 303.12110 205.8
[M+Na-2H]- 265.08192 157.8
[M]+ 244.10670 151.0
[M]- 244.10780 151.0
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.