CID 45054923

4-(2-(((3,4,5-trimethoxybenzoyl)amino)ac)carbohydrazonoyl)ph 4-propoxybenzoate

Structural Information

Molecular Formula
C29H31N3O8
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C29H31N3O8/c1-5-14-39-22-12-8-20(9-13-22)29(35)40-23-10-6-19(7-11-23)17-31-32-26(33)18-30-28(34)21-15-24(36-2)27(38-4)25(16-21)37-3/h6-13,15-17H,5,14,18H2,1-4H3,(H,30,34)(H,32,33)/b31-17+
InChIKey
ZGYUZZMSTODNIA-KBVAKVRCSA-N
Compound name
[4-[(E)-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.2111 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.21838 231.3
[M+Na]+ 572.20032 233.1
[M-H]- 548.20382 241.4
[M+NH4]+ 567.24492 234.6
[M+K]+ 588.17426 232.7
[M+H-H2O]+ 532.20836 218.2
[M+HCOO]- 594.20930 255.0
[M+CH3COO]- 608.22495 260.4
[M+Na-2H]- 570.18577 229.9
[M]+ 549.21055 240.3
[M]- 549.21165 240.3
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.