CID 9636561

764655-88-1

Structural Information

Molecular Formula
C26H24ClN3O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H24ClN3O6/c1-3-35-23-14-17(4-13-22(23)36-26(33)19-5-9-20(27)10-6-19)15-29-30-24(31)16-28-25(32)18-7-11-21(34-2)12-8-18/h4-15H,3,16H2,1-2H3,(H,28,32)(H,30,31)/b29-15+
InChIKey
AWRCLZGAIFFCQI-WKULSOCRSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.13538 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.14266 220.5
[M+Na]+ 532.12460 224.5
[M-H]- 508.12810 231.0
[M+NH4]+ 527.16920 226.7
[M+K]+ 548.09854 221.0
[M+H-H2O]+ 492.13264 209.5
[M+HCOO]- 554.13358 240.9
[M+CH3COO]- 568.14923 249.3
[M+Na-2H]- 530.11005 220.4
[M]+ 509.13483 228.4
[M]- 509.13593 228.4
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.