CID 1983737

307975-92-4

Structural Information

Molecular Formula
C27H24N4O3
SMILES
COC1=CC=CC=C1/C=C/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C27H24N4O3/c1-33-26-12-6-5-10-22(26)11-7-17-28-31-27(32)25-18-24(29-30-25)21-13-15-23(16-14-21)34-19-20-8-3-2-4-9-20/h2-18H,19H2,1H3,(H,29,30)(H,31,32)/b11-7+,28-17+
InChIKey
GWGVJSQNTXMJST-SUOQOJQUSA-N
Compound name
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.18484 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19212 213.0
[M+Na]+ 475.17406 226.4
[M+NH4]+ 470.21866 218.0
[M+K]+ 491.14800 219.2
[M-H]- 451.17756 220.0
[M+Na-2H]- 473.15951 223.3
[M]+ 452.18429 216.7
[M]- 452.18539 216.7
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.