CID 51061003

881664-24-0

Structural Information

Molecular Formula
C34H47FN4O
SMILES
CCCCCCCCCCCCCCCCCC(=O)N/N=C/C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C34H47FN4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33(40)37-36-27-30-28-39(32-20-17-16-18-21-32)38-34(30)29-23-25-31(35)26-24-29/h16-18,20-21,23-28H,2-15,19,22H2,1H3,(H,37,40)/b36-27+
InChIKey
UVKPDFYULDVCCF-KJFHWCLQSA-N
Compound name
N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.3734 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.38068 243.0
[M+Na]+ 569.36262 243.3
[M-H]- 545.36612 247.4
[M+NH4]+ 564.40722 246.4
[M+K]+ 585.33656 234.4
[M+H-H2O]+ 529.37066 228.0
[M+HCOO]- 591.37160 261.8
[M+CH3COO]- 605.38725 259.9
[M+Na-2H]- 567.34807 238.0
[M]+ 546.37285 247.6
[M]- 546.37395 247.6
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.