CID 136144539

Chromate(1-), bis(n-(4-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1h-pyrazol-1-yl)phenyl)-2-propenamidato(2-))-, sodium

Structural Information

Molecular Formula
C19H16N6O5
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=C(C=C3)NC(=O)C=C
InChI
InChI=1S/C19H16N6O5/c1-3-17(27)20-12-4-6-13(7-5-12)24-19(28)18(11(2)23-24)22-21-15-10-14(25(29)30)8-9-16(15)26/h3-10,18,26H,1H2,2H3,(H,20,27)
InChIKey
AJWOXSBUDHIYEB-UHFFFAOYSA-N
Compound name
N-[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.11823 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12551 191.9
[M+Na]+ 431.10745 197.2
[M-H]- 407.11095 201.5
[M+NH4]+ 426.15205 199.9
[M+K]+ 447.08139 189.2
[M+H-H2O]+ 391.11549 185.2
[M+HCOO]- 453.11643 217.9
[M+CH3COO]- 467.13208 226.9
[M+Na-2H]- 429.09290 196.1
[M]+ 408.11768 191.2
[M]- 408.11878 191.2
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