CID 9620781

303104-72-5

Structural Information

Molecular Formula
C29H24N4O2
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC=C(C=C2)OCC3=CC=CC=C3)/C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C29H24N4O2/c1-20(25-13-7-11-22-10-5-6-12-26(22)25)30-33-29(34)28-18-27(31-32-28)23-14-16-24(17-15-23)35-19-21-8-3-2-4-9-21/h2-18H,19H2,1H3,(H,31,32)(H,33,34)/b30-20+
InChIKey
XDXKDJJAQNLQJD-TWKHWXDSSA-N
Compound name
N-[(E)-1-naphthalen-1-ylethylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.1899 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.19718 214.2
[M+Na]+ 483.17912 230.1
[M+NH4]+ 478.22372 220.9
[M+K]+ 499.15306 222.0
[M-H]- 459.18262 223.0
[M+Na-2H]- 481.16457 226.1
[M]+ 460.18935 219.0
[M]- 460.19045 219.0
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.