CID 135596604

Chromate(1-), bis(2,4-dihydro-4-((2-hydroxy-5-methyl-3-nitrophenyl)azo)-5-methyl-2-phenyl-3h-pyrazol-3-onato(2-))-, hydrogen

Structural Information

Molecular Formula
C17H15N5O4
SMILES
CC1=CC(=C(C(=C1)[N+](=O)[O-])O)N=NC2=C(NN(C2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C17H15N5O4/c1-10-8-13(16(23)14(9-10)22(25)26)18-19-15-11(2)20-21(17(15)24)12-6-4-3-5-7-12/h3-9,20,23H,1-2H3
InChIKey
BHLAWRCVDMVBIB-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

353.1124 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11968 178.9
[M+Na]+ 376.10162 186.7
[M-H]- 352.10512 187.8
[M+NH4]+ 371.14622 189.4
[M+K]+ 392.07556 177.8
[M+H-H2O]+ 336.10966 173.1
[M+HCOO]- 398.11060 205.1
[M+CH3COO]- 412.12625 212.4
[M+Na-2H]- 374.08707 184.4
[M]+ 353.11185 178.7
[M]- 353.11295 178.7
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