CID 6877820

634895-29-7

Structural Information

Molecular Formula
C27H24N4O2
SMILES
C/C(=C\C1=CC=CC=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=CC=C3OCC4=CC=CC=C4
InChI
InChI=1S/C27H24N4O2/c1-20(16-21-10-4-2-5-11-21)18-28-31-27(32)25-17-24(29-30-25)23-14-8-9-15-26(23)33-19-22-12-6-3-7-13-22/h2-18H,19H2,1H3,(H,29,30)(H,31,32)/b20-16+,28-18+
InChIKey
RAPWEOZRBMEBPN-FHUHYOMBSA-N
Compound name
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(2-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1899 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19718 209.0
[M+Na]+ 459.17912 222.2
[M+NH4]+ 454.22372 214.5
[M+K]+ 475.15306 215.1
[M-H]- 435.18262 216.2
[M+Na-2H]- 457.16457 219.7
[M]+ 436.18935 212.7
[M]- 436.19045 212.7
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.