CID 45054353

764693-09-6

Structural Information

Molecular Formula
C30H26N2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C30H26N2O5/c1-21(36-27-17-11-24(12-18-27)23-8-4-3-5-9-23)29(33)32-31-20-22-7-6-10-28(19-22)37-30(34)25-13-15-26(35-2)16-14-25/h3-21H,1-2H3,(H,32,33)/b31-20+
InChIKey
DFUYKYLKOIDJQK-AJBULDERSA-N
Compound name
[3-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.18417 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.19145 221.3
[M+Na]+ 517.17339 223.5
[M-H]- 493.17689 233.9
[M+NH4]+ 512.21799 226.2
[M+K]+ 533.14733 220.0
[M+H-H2O]+ 477.18143 207.9
[M+HCOO]- 539.18237 244.0
[M+CH3COO]- 553.19802 246.1
[M+Na-2H]- 515.15884 221.7
[M]+ 494.18362 224.2
[M]- 494.18472 224.2
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.