CID 45054976

4-(2-(3-chlorobenzoyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate

Structural Information

Molecular Formula
C26H25ClN2O5
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC(=CC=C3)Cl)OC
InChI
InChI=1S/C26H25ClN2O5/c1-3-4-14-33-22-11-9-19(10-12-22)26(31)34-23-13-8-18(15-24(23)32-2)17-28-29-25(30)20-6-5-7-21(27)16-20/h5-13,15-17H,3-4,14H2,1-2H3,(H,29,30)/b28-17+
InChIKey
SUQZUPFREFFRSI-OGLMXYFKSA-N
Compound name
[4-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.1452 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.15248 216.0
[M+Na]+ 503.13442 221.3
[M-H]- 479.13792 226.4
[M+NH4]+ 498.17902 224.0
[M+K]+ 519.10836 216.5
[M+H-H2O]+ 463.14246 205.1
[M+HCOO]- 525.14340 236.0
[M+CH3COO]- 539.15905 242.1
[M+Na-2H]- 501.11987 216.1
[M]+ 480.14465 224.5
[M]- 480.14575 224.5
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.