CID 45054456

4-(2-((4-allyl-2-methoxyphenoxy)ac)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C28H28N2O7
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=C(C=C(C=C3)CC=C)OC)OC
InChI
InChI=1S/C28H28N2O7/c1-5-6-19-9-13-24(25(15-19)34-3)36-18-27(31)30-29-17-20-7-11-22(12-8-20)37-28(32)21-10-14-23(33-2)26(16-21)35-4/h5,7-17H,1,6,18H2,2-4H3,(H,30,31)/b29-17+
InChIKey
ORTUVSCENFVDBS-STBIYBPSSA-N
Compound name
[4-[(E)-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.18964 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.19692 221.9
[M+Na]+ 527.17886 225.8
[M-H]- 503.18236 232.3
[M+NH4]+ 522.22346 227.7
[M+K]+ 543.15280 223.6
[M+H-H2O]+ 487.18690 209.4
[M+HCOO]- 549.18784 245.9
[M+CH3COO]- 563.20349 249.7
[M+Na-2H]- 525.16431 221.0
[M]+ 504.18909 230.7
[M]- 504.19019 230.7
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.