CID 113155

63217-37-8

Structural Information

Molecular Formula
C28H47NO4
SMILES
CCCCCCCCCCCCCCCCCCNC1=CC(=CC(=C1)C(=O)OC)C(=O)OC
InChI
InChI=1S/C28H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-26-22-24(27(30)32-2)21-25(23-26)28(31)33-3/h21-23,29H,4-20H2,1-3H3
InChIKey
MSEHBOQBRYAONO-UHFFFAOYSA-N
Compound name
dimethyl 5-(octadecylamino)benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

461.3505 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.35778 222.9
[M+Na]+ 484.33972 229.8
[M+NH4]+ 479.38432 226.1
[M+K]+ 500.31366 221.6
[M-H]- 460.34322 222.8
[M+Na-2H]- 482.32517 223.1
[M]+ 461.34995 223.4
[M]- 461.35105 223.4
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