CID 6877828

634896-60-9

Structural Information

Molecular Formula
C25H21FN4O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=C(C=C4)F
InChI
InChI=1S/C25H21FN4O2/c1-17-2-4-19(5-3-17)16-32-22-12-8-20(9-13-22)23-14-24(29-28-23)25(31)30-27-15-18-6-10-21(26)11-7-18/h2-15H,16H2,1H3,(H,28,29)(H,30,31)/b27-15+
InChIKey
WTIAISCFVKEITQ-JFLMPSFJSA-N
Compound name
N-[(E)-(4-fluorophenyl)methylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.16486 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.17214 205.6
[M+Na]+ 451.15408 219.1
[M+NH4]+ 446.19868 210.9
[M+K]+ 467.12802 212.2
[M-H]- 427.15758 211.7
[M+Na-2H]- 449.13953 215.7
[M]+ 428.16431 209.0
[M]- 428.16541 209.0
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.