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

3
Patents

411.20456 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.21184 202.5
[M+Na]+ 434.19378 206.1
[M-H]- 410.19728 209.2
[M+NH4]+ 429.23838 213.0
[M+K]+ 450.16772 203.2
[M+H-H2O]+ 394.20182 192.2
[M+HCOO]- 456.20276 225.5
[M+CH3COO]- 470.21841 228.4
[M+Na-2H]- 432.17923 202.3
[M]+ 411.20401 210.3
[M]- 411.20511 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