CID 9630425

4-(2-(((4-ethoxybenzoyl)amino)ac)carbohydrazonoyl)-2-meo-phenyl 4-butoxybenzoate

Structural Information

Molecular Formula
C30H33N3O7
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)OCC)OC
InChI
InChI=1S/C30H33N3O7/c1-4-6-17-39-25-14-10-23(11-15-25)30(36)40-26-16-7-21(18-27(26)37-3)19-32-33-28(34)20-31-29(35)22-8-12-24(13-9-22)38-5-2/h7-16,18-19H,4-6,17,20H2,1-3H3,(H,31,35)(H,33,34)/b32-19+
InChIKey
GVHHCYAHCFZUBS-BIZUNTBRSA-N
Compound name
[4-[(E)-[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.2319 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.23918 233.2
[M+Na]+ 570.22112 234.0
[M-H]- 546.22462 242.7
[M+NH4]+ 565.26572 236.4
[M+K]+ 586.19506 232.4
[M+H-H2O]+ 530.22916 220.1
[M+HCOO]- 592.23010 256.5
[M+CH3COO]- 606.24575 259.6
[M+Na-2H]- 568.20657 231.7
[M]+ 547.23135 240.8
[M]- 547.23245 240.8
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.