CID 129318755

N,o-dinonanoylvanillylamine

Structural Information

Molecular Formula
C26H43NO4
SMILES
CCCCCCCCC(=O)NCC1=CC(=C(C=C1)OC(=O)CCCCCCCC)OC
InChI
InChI=1S/C26H43NO4/c1-4-6-8-10-12-14-16-25(28)27-21-22-18-19-23(24(20-22)30-3)31-26(29)17-15-13-11-9-7-5-2/h18-20H,4-17,21H2,1-3H3,(H,27,28)
InChIKey
GLLOEYAUSYWQJB-UHFFFAOYSA-N
Compound name
[2-methoxy-4-[(nonanoylamino)methyl]phenyl] nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.3192 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.326476 215.5
[M+Na]+ 456.308418 216.3
[M-H]- 432.311924 216.5
[M+NH4]+ 451.353023 224.9
[M+K]+ 472.282358 212.4
[M+H-H2O]+ 416.316460 206.0
[M+HCOO]- 478.317401 234.5
[M+CH3COO]- 492.333051 236.0
[M+Na-2H]- 454.293866 211.1
[M]+ 433.31865142 224.4
[M]- 433.31974858 224.4
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

No patent data available for this compound.