CID 51060554

881683-63-2

Structural Information

Molecular Formula
C26H22FN5O2
SMILES
CCC1=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/C26H22FN5O2/c1-2-18-8-14-22(15-9-18)29-25(33)26(34)30-28-16-20-17-32(23-6-4-3-5-7-23)31-24(20)19-10-12-21(27)13-11-19/h3-17H,2H2,1H3,(H,29,33)(H,30,34)/b28-16+
InChIKey
LOUQGNQRPWPAEE-LQKURTRISA-N
Compound name
N-(4-ethylphenyl)-N'-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.17575 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.18303 209.5
[M+Na]+ 478.16497 214.6
[M-H]- 454.16847 219.9
[M+NH4]+ 473.20957 216.0
[M+K]+ 494.13891 207.8
[M+H-H2O]+ 438.17301 195.8
[M+HCOO]- 500.17395 232.7
[M+CH3COO]- 514.18960 240.5
[M+Na-2H]- 476.15042 210.2
[M]+ 455.17520 208.8
[M]- 455.17630 208.8
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

No patent data available for this compound.