CID 6888908

302918-62-3

Structural Information

Molecular Formula
C27H26N4O5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C27H26N4O5/c1-33-24-13-19(14-25(34-2)26(24)35-3)16-28-31-27(32)23-15-22(29-30-23)20-9-11-21(12-10-20)36-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,29,30)(H,31,32)/b28-16+
InChIKey
BRENBTCPWHCYMG-LQKURTRISA-N
Compound name
3-(4-phenylmethoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.1903 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.19758 220.2
[M+Na]+ 509.17952 233.2
[M+NH4]+ 504.22412 224.3
[M+K]+ 525.15346 227.7
[M-H]- 485.18302 226.7
[M+Na-2H]- 507.16497 229.2
[M]+ 486.18975 223.7
[M]- 486.19085 223.7
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.