CID 9671968

4-(2-(4-((4-methylbenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl 2-methylbenzoate

Structural Information

Molecular Formula
C30H26N2O4
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4C
InChI
InChI=1S/C30H26N2O4/c1-21-7-9-24(10-8-21)20-35-26-17-13-25(14-18-26)29(33)32-31-19-23-11-15-27(16-12-23)36-30(34)28-6-4-3-5-22(28)2/h3-19H,20H2,1-2H3,(H,32,33)/b31-19+
InChIKey
UWMXJJIEUGMKHC-ZCTHSVRISA-N
Compound name
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.18927 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.19655 220.4
[M+Na]+ 501.17849 235.7
[M+NH4]+ 496.22309 226.5
[M+K]+ 517.15243 225.9
[M-H]- 477.18199 229.7
[M+Na-2H]- 499.16394 232.1
[M]+ 478.18872 225.3
[M]- 478.18982 225.3
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.