CID 9630270

2-ethoxy-4-(2-(2-(4-nitrophenoxy)propanoyl)carbohydrazonoyl)ph 4-methoxybenzoate

Structural Information

Molecular Formula
C26H25N3O8
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C26H25N3O8/c1-4-35-24-15-18(5-14-23(24)37-26(31)19-6-10-21(34-3)11-7-19)16-27-28-25(30)17(2)36-22-12-8-20(9-13-22)29(32)33/h5-17H,4H2,1-3H3,(H,28,30)/b27-16+
InChIKey
QRPSOCOVPUMSAT-JVWAILMASA-N
Compound name
[2-ethoxy-4-[(E)-[2-(4-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.16415 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.17143 219.5
[M+Na]+ 530.15337 220.2
[M-H]- 506.15687 229.4
[M+NH4]+ 525.19797 223.4
[M+K]+ 546.12731 215.4
[M+H-H2O]+ 490.16141 211.4
[M+HCOO]- 552.16235 243.3
[M+CH3COO]- 566.17800 242.5
[M+Na-2H]- 528.13882 221.3
[M]+ 507.16360 224.0
[M]- 507.16470 224.0
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.