CID 5069073

Dtxsid301113950

Structural Information

Molecular Formula
C26H24N4O2
SMILES
CC1=CC=C(C=C1)C(=NNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C26H24N4O2/c1-18-9-11-20(12-10-18)19(2)27-28-26(31)25-17-24(21-13-15-23(32-3)16-14-21)29-30(25)22-7-5-4-6-8-22/h4-17H,1-3H3,(H,28,31)
InChIKey
FFQRGDFQBSHVLD-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethylideneamino]-2-phenylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1899 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19718 204.5
[M+Na]+ 447.17912 210.0
[M-H]- 423.18262 216.2
[M+NH4]+ 442.22372 212.6
[M+K]+ 463.15306 204.1
[M+H-H2O]+ 407.18716 191.9
[M+HCOO]- 469.18810 227.5
[M+CH3COO]- 483.20375 213.4
[M+Na-2H]- 445.16457 204.8
[M]+ 424.18935 206.1
[M]- 424.19045 206.1
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.