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
3-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethylideneamino]-1-phenylpyrazole-5-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]+ 425.197176 204.5
[M+Na]+ 447.179118 210.0
[M-H]- 423.182624 216.2
[M+NH4]+ 442.223723 212.6
[M+K]+ 463.153058 204.1
[M+H-H2O]+ 407.187160 191.9
[M+HCOO]- 469.188101 227.5
[M+CH3COO]- 483.203751 213.4
[M+Na-2H]- 445.164566 204.8
[M]+ 424.18935142 206.1
[M]- 424.19044858 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.