CID 9663539

4-(2-(((3,4-dimethoxybenzoyl)amino)ac)carbohydrazonoyl)phenyl 4-butoxybenzoate

Structural Information

Molecular Formula
C29H31N3O7
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C29H31N3O7/c1-4-5-16-38-23-13-8-21(9-14-23)29(35)39-24-11-6-20(7-12-24)18-31-32-27(33)19-30-28(34)22-10-15-25(36-2)26(17-22)37-3/h6-15,17-18H,4-5,16,19H2,1-3H3,(H,30,34)(H,32,33)/b31-18+
InChIKey
IDECHPOEFRZBBB-FDAWAROLSA-N
Compound name
[4-[(E)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.2162 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.22348 229.0
[M+Na]+ 556.20542 230.2
[M-H]- 532.20892 238.7
[M+NH4]+ 551.25002 232.8
[M+K]+ 572.17936 228.7
[M+H-H2O]+ 516.21346 216.0
[M+HCOO]- 578.21440 252.6
[M+CH3COO]- 592.23005 256.8
[M+Na-2H]- 554.19087 228.0
[M]+ 533.21565 236.2
[M]- 533.21675 236.2
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.