CID 370822

Nsc644473

Structural Information

Molecular Formula
C24H17FN6O5
SMILES
C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=CC=C3[N+](=O)[O-])C(=O)CC(=O)NC4=CC=CC=C4F
InChI
InChI=1S/C24H17FN6O5/c25-16-10-4-5-11-17(16)26-20(32)14-21(33)30-24(34)23(22(29-30)15-8-2-1-3-9-15)28-27-18-12-6-7-13-19(18)31(35)36/h1-13,23H,14H2,(H,26,32)
InChIKey
NXKQWKQCCQQBMT-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-3-[4-[(2-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.12445 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.13173 210.0
[M+Na]+ 511.11367 213.0
[M-H]- 487.11717 221.7
[M+NH4]+ 506.15827 214.1
[M+K]+ 527.08761 204.7
[M+H-H2O]+ 471.12171 200.3
[M+HCOO]- 533.12265 234.6
[M+CH3COO]- 547.13830 241.5
[M+Na-2H]- 509.09912 213.6
[M]+ 488.12390 208.1
[M]- 488.12500 208.1
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

No patent data available for this compound.