CID 9622499

4-(2-((4-butylphenoxy)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C26H26N2O4
SMILES
CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H26N2O4/c1-2-3-7-20-10-14-23(15-11-20)31-19-25(29)28-27-18-21-12-16-24(17-13-21)32-26(30)22-8-5-4-6-9-22/h4-6,8-18H,2-3,7,19H2,1H3,(H,28,29)/b27-18+
InChIKey
BJRMQJAFCOLDRY-OVVQPSECSA-N
Compound name
[4-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.18927 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.19655 207.4
[M+Na]+ 453.17849 219.9
[M+NH4]+ 448.22309 213.0
[M+K]+ 469.15243 211.2
[M-H]- 429.18199 213.8
[M+Na-2H]- 451.16394 216.6
[M]+ 430.18872 210.8
[M]- 430.18982 210.8
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.