CID 85924

15866-36-1

Structural Information

Molecular Formula
C16H13N5O4
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=C3
InChI
InChI=1S/C16H13N5O4/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-8-7-12(21(24)25)9-14(13)22/h2-9,15,22H,1H3
InChIKey
ULPPOWQPJBUQOF-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

339.09674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10402 174.5
[M+Na]+ 362.08596 181.4
[M-H]- 338.08946 184.1
[M+NH4]+ 357.13056 185.8
[M+K]+ 378.05990 173.6
[M+H-H2O]+ 322.09400 168.4
[M+HCOO]- 384.09494 201.2
[M+CH3COO]- 398.11059 210.9
[M+Na-2H]- 360.07141 180.7
[M]+ 339.09619 174.0
[M]- 339.09729 174.0
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

patents stripe