CID 45055182

765295-58-7

Structural Information

Molecular Formula
C25H21FN4O3
SMILES
COC1=C(C=C(C=C1)C(=O)N/N=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)OC
InChI
InChI=1S/C25H21FN4O3/c1-32-22-13-10-18(14-23(22)33-2)25(31)28-27-15-19-16-30(21-6-4-3-5-7-21)29-24(19)17-8-11-20(26)12-9-17/h3-16H,1-2H3,(H,28,31)/b27-15+
InChIKey
UQZAGPDORNWAFU-JFLMPSFJSA-N
Compound name
N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.15976 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.16704 206.4
[M+Na]+ 467.14898 213.5
[M-H]- 443.15248 217.2
[M+NH4]+ 462.19358 213.9
[M+K]+ 483.12292 207.5
[M+H-H2O]+ 427.15702 192.8
[M+HCOO]- 489.15796 229.8
[M+CH3COO]- 503.17361 236.9
[M+Na-2H]- 465.13443 207.1
[M]+ 444.15921 209.1
[M]- 444.16031 209.1
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.