CID 45055223

2-meo-4-(2-((2-methoxyphenoxy)acetyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C27H28N2O7
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)COC3=CC=CC=C3OC)OC
InChI
InChI=1S/C27H28N2O7/c1-4-15-34-21-12-10-20(11-13-21)27(31)36-24-14-9-19(16-25(24)33-3)17-28-29-26(30)18-35-23-8-6-5-7-22(23)32-2/h5-14,16-17H,4,15,18H2,1-3H3,(H,29,30)/b28-17+
InChIKey
XIBGWYAWWHEQNX-OGLMXYFKSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.18964 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.19692 218.3
[M+Na]+ 515.17886 221.5
[M-H]- 491.18236 228.5
[M+NH4]+ 510.22346 224.4
[M+K]+ 531.15280 219.9
[M+H-H2O]+ 475.18690 205.8
[M+HCOO]- 537.18784 242.5
[M+CH3COO]- 551.20349 246.0
[M+Na-2H]- 513.16431 218.7
[M]+ 492.18909 227.0
[M]- 492.19019 227.0
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.