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 193.4
[M+Na]+ 440.06352 200.5
[M-H]- 416.06702 203.3
[M+NH4]+ 435.10812 202.0
[M+K]+ 456.03746 192.2
[M+H-H2O]+ 400.07156 188.2
[M+HCOO]- 462.07250 213.5
[M+CH3COO]- 476.08815 221.8
[M+Na-2H]- 438.04897 198.9
[M]+ 417.07375 195.8
[M]- 417.07485 195.8
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