CID 3015824

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

Structural Information

Molecular Formula
C17H15N5O6S
SMILES
CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2O)[N+](=O)[O-])S(=O)(=O)C)C3=CC=CC=C3
InChI
InChI=1S/C17H15N5O6S/c1-10-16(17(24)21(20-10)11-6-4-3-5-7-11)19-18-12-8-15(29(2,27)28)13(22(25)26)9-14(12)23/h3-9,16,23H,1-2H3
InChIKey
MOWONGIRBKAENJ-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-5-methylsulfonyl-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

417.0743 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.08158 190.1
[M+Na]+ 440.06352 201.4
[M+NH4]+ 435.10812 193.9
[M+K]+ 456.03746 200.1
[M-H]- 416.06702 194.4
[M+Na-2H]- 438.04897 196.5
[M]+ 417.07375 192.9
[M]- 417.07485 192.9
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