CID 110825

Dtxsid00884266

Structural Information

Molecular Formula
C11H11N5O3
SMILES
CC1=CC(=C(C=C1)N=NC2C(=NNC2=O)C)[N+](=O)[O-]
InChI
InChI=1S/C11H11N5O3/c1-6-3-4-8(9(5-6)16(18)19)13-14-10-7(2)12-15-11(10)17/h3-5,10H,1-2H3,(H,15,17)
InChIKey
MGUKQGKECAROGQ-UHFFFAOYSA-N
Compound name
3-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

261.08618 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09346 154.5
[M+Na]+ 284.07540 162.2
[M-H]- 260.07890 161.0
[M+NH4]+ 279.12000 169.6
[M+K]+ 300.04934 155.5
[M+H-H2O]+ 244.08344 150.2
[M+HCOO]- 306.08438 181.6
[M+CH3COO]- 320.10003 196.4
[M+Na-2H]- 282.06085 161.4
[M]+ 261.08563 153.2
[M]- 261.08673 153.2
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