CID 51060196

4-(2-((2-methoxyphenoxy)acetyl)carbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C24H22N2O5
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=CC=C3OC
InChI
InChI=1S/C24H22N2O5/c1-17-6-5-7-19(14-17)24(28)31-20-12-10-18(11-13-20)15-25-26-23(27)16-30-22-9-4-3-8-21(22)29-2/h3-15H,16H2,1-2H3,(H,26,27)/b25-15+
InChIKey
SXEOXIIJUOPSIP-MFKUBSTISA-N
Compound name
[4-[(E)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.15286 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16014 200.3
[M+Na]+ 441.14208 204.7
[M-H]- 417.14558 210.8
[M+NH4]+ 436.18668 209.5
[M+K]+ 457.11602 201.8
[M+H-H2O]+ 401.15012 188.8
[M+HCOO]- 463.15106 225.4
[M+CH3COO]- 477.16671 231.7
[M+Na-2H]- 439.12753 202.5
[M]+ 418.15231 204.9
[M]- 418.15341 205.0
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.