CID 9653073

4-(2-(((3,4-dimethoxybenzoyl)amino)ac)carbohydrazonoyl)-2-meo-ph 4-me-benzoate

Structural Information

Molecular Formula
C27H27N3O7
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C27H27N3O7/c1-17-5-8-19(9-6-17)27(33)37-22-11-7-18(13-23(22)35-3)15-29-30-25(31)16-28-26(32)20-10-12-21(34-2)24(14-20)36-4/h5-15H,16H2,1-4H3,(H,28,32)(H,30,31)/b29-15+
InChIKey
NHEIVKADIRDXJA-WKULSOCRSA-N
Compound name
[4-[(E)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.1849 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.19218 221.0
[M+Na]+ 528.17412 224.1
[M-H]- 504.17762 231.6
[M+NH4]+ 523.21872 226.3
[M+K]+ 544.14806 223.1
[M+H-H2O]+ 488.18216 208.6
[M+HCOO]- 550.18310 245.3
[M+CH3COO]- 564.19875 252.5
[M+Na-2H]- 526.15957 220.2
[M]+ 505.18435 228.1
[M]- 505.18545 228.1
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.