CID 3084908

Pentanoic acid, 4-[[[4-[[(pentyloxy)carbonyl]oxy]phenyl]imino]methyl]phenyl ester

Structural Information

Molecular Formula
C24H29NO5
SMILES
CCCCCOC(=O)OC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC(=O)CCCC
InChI
InChI=1S/C24H29NO5/c1-3-5-7-17-28-24(27)30-22-15-11-20(12-16-22)25-18-19-9-13-21(14-10-19)29-23(26)8-6-4-2/h9-16,18H,3-8,17H2,1-2H3
InChIKey
AMHOXZKEIVGXFJ-UHFFFAOYSA-N
Compound name
[4-[(4-pentoxycarbonyloxyphenyl)iminomethyl]phenyl] pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

411.20456 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.211836 202.5
[M+Na]+ 434.193778 206.1
[M-H]- 410.197284 209.2
[M+NH4]+ 429.238383 213.0
[M+K]+ 450.167718 203.2
[M+H-H2O]+ 394.201820 192.2
[M+HCOO]- 456.202761 225.5
[M+CH3COO]- 470.218411 228.4
[M+Na-2H]- 432.179226 202.3
[M]+ 411.20401142 210.3
[M]- 411.20510858 210.3
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

patents stripe