CID 51060659

881840-12-6

Structural Information

Molecular Formula
C25H20FN5O3
SMILES
COC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C25H20FN5O3/c1-34-22-13-11-20(12-14-22)28-24(32)25(33)29-27-15-18-16-31(21-5-3-2-4-6-21)30-23(18)17-7-9-19(26)10-8-17/h2-16H,1H3,(H,28,32)(H,29,33)/b27-15+
InChIKey
PWXAKWFQQMFHHT-JFLMPSFJSA-N
Compound name
N'-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-N-(4-methoxyphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.15503 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.16231 209.4
[M+Na]+ 480.14425 221.3
[M+NH4]+ 475.18885 213.6
[M+K]+ 496.11819 215.9
[M-H]- 456.14775 215.4
[M+Na-2H]- 478.12970 219.0
[M]+ 457.15448 212.3
[M]- 457.15558 212.3
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.