CID 9611353

3-(2-(4-((4-methylbenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C30H26N2O5
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C30H26N2O5/c1-21-6-8-22(9-7-21)20-36-27-16-10-24(11-17-27)29(33)32-31-19-23-4-3-5-28(18-23)37-30(34)25-12-14-26(35-2)15-13-25/h3-19H,20H2,1-2H3,(H,32,33)/b31-19+
InChIKey
KCCTWKZYGIJQLJ-ZCTHSVRISA-N
Compound name
[3-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.18417 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.19145 222.1
[M+Na]+ 517.17339 225.5
[M-H]- 493.17689 235.1
[M+NH4]+ 512.21799 227.4
[M+K]+ 533.14733 221.4
[M+H-H2O]+ 477.18143 208.6
[M+HCOO]- 539.18237 245.8
[M+CH3COO]- 553.19802 246.5
[M+Na-2H]- 515.15884 222.8
[M]+ 494.18362 226.0
[M]- 494.18472 226.0
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.