CID 9681063

477735-02-7

Structural Information

Molecular Formula
C23H23FN4O
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C23H23FN4O/c24-20-13-11-17(12-14-20)22-19(16-28(27-22)21-9-5-2-6-10-21)15-25-26-23(29)18-7-3-1-4-8-18/h2,5-6,9-16,18H,1,3-4,7-8H2,(H,26,29)/b25-15+
InChIKey
NTQAMHRTKJMXSD-MFKUBSTISA-N
Compound name
N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.18558 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19286 192.8
[M+Na]+ 413.17480 196.5
[M-H]- 389.17830 201.9
[M+NH4]+ 408.21940 202.0
[M+K]+ 429.14874 189.9
[M+H-H2O]+ 373.18284 179.5
[M+HCOO]- 435.18378 212.5
[M+CH3COO]- 449.19943 200.9
[M+Na-2H]- 411.16025 192.9
[M]+ 390.18503 187.2
[M]- 390.18613 187.2
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.