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]+ 342.17000 182.3
[M+Na]+ 364.15194 187.8
[M-H]- 340.15544 189.8
[M+NH4]+ 359.19654 195.9
[M+K]+ 380.12588 185.1
[M+H-H2O]+ 324.15998 172.8
[M+HCOO]- 386.16092 207.4
[M+CH3COO]- 400.17657 215.1
[M+Na-2H]- 362.13739 185.3
[M]+ 341.16217 188.8
[M]- 341.16327 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