CID 9655406

634895-39-9

Structural Information

Molecular Formula
C26H22N4O2
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2C3=NNC(=C3)C(=O)N/N=C/C=C/C4=CC=CC=C4
InChI
InChI=1S/C26H22N4O2/c31-26(30-27-17-9-14-20-10-3-1-4-11-20)24-18-23(28-29-24)22-15-7-8-16-25(22)32-19-21-12-5-2-6-13-21/h1-18H,19H2,(H,28,29)(H,30,31)/b14-9+,27-17+
InChIKey
VOXVDZYOVUBUDR-PQRBOASESA-N
Compound name
3-(2-phenylmethoxyphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1743 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18158 201.3
[M+Na]+ 445.16352 205.3
[M-H]- 421.16702 210.7
[M+NH4]+ 440.20812 208.2
[M+K]+ 461.13746 197.3
[M+H-H2O]+ 405.17156 188.5
[M+HCOO]- 467.17250 224.0
[M+CH3COO]- 481.18815 209.1
[M+Na-2H]- 443.14897 203.9
[M]+ 422.17375 200.0
[M]- 422.17485 200.0
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.