CID 3084907

Carbonic acid, 4-(((4-methoxyphenyl)imino)methyl)phenyl pentyl ester

Structural Information

Molecular Formula
C20H23NO4
SMILES
CCCCCOC(=O)OC1=CC=C(C=C1)C=NC2=CC=C(C=C2)OC
InChI
InChI=1S/C20H23NO4/c1-3-4-5-14-24-20(22)25-19-10-6-16(7-11-19)15-21-17-8-12-18(23-2)13-9-17/h6-13,15H,3-5,14H2,1-2H3
InChIKey
BDWQITLMXFJLGJ-UHFFFAOYSA-N
Compound name
[4-[(4-methoxyphenyl)iminomethyl]phenyl] pentyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

341.16272 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.169996 182.3
[M+Na]+ 364.151938 187.8
[M-H]- 340.155444 189.8
[M+NH4]+ 359.196543 195.9
[M+K]+ 380.125878 185.1
[M+H-H2O]+ 324.159980 172.8
[M+HCOO]- 386.160921 207.4
[M+CH3COO]- 400.176571 215.1
[M+Na-2H]- 362.137386 185.3
[M]+ 341.16217142 188.8
[M]- 341.16326858 188.8
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

patents stripe