CID 51060672

Methyl 4-((2-(2-(((4-ethoxybenzoyl)amino)acetyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

Molecular Formula
C27H27N3O6
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C27H27N3O6/c1-3-35-23-14-12-20(13-15-23)26(32)28-17-25(31)30-29-16-22-6-4-5-7-24(22)36-18-19-8-10-21(11-9-19)27(33)34-2/h4-16H,3,17-18H2,1-2H3,(H,28,32)(H,30,31)/b29-16+
InChIKey
RGBKYHIQEDJHOY-MUFRIFMGSA-N
Compound name
methyl 4-[[2-[(E)-[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.18997 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.19725 217.8
[M+Na]+ 512.17919 219.5
[M-H]- 488.18269 227.7
[M+NH4]+ 507.22379 223.3
[M+K]+ 528.15313 217.3
[M+H-H2O]+ 472.18723 205.4
[M+HCOO]- 534.18817 242.1
[M+CH3COO]- 548.20382 247.5
[M+Na-2H]- 510.16464 218.3
[M]+ 489.18942 222.7
[M]- 489.19052 222.7
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.