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 215.7
[M+Na]+ 509.17952 220.5
[M-H]- 485.18302 226.2
[M+NH4]+ 504.22412 220.5
[M+K]+ 525.15346 215.8
[M+H-H2O]+ 469.18756 202.7
[M+HCOO]- 531.18850 238.2
[M+CH3COO]- 545.20415 242.3
[M+Na-2H]- 507.16497 216.2
[M]+ 486.18975 220.7
[M]- 486.19085 220.7
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.