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]+ 434.32648 215.5
[M+Na]+ 456.30842 216.3
[M-H]- 432.31192 216.5
[M+NH4]+ 451.35302 224.9
[M+K]+ 472.28236 212.4
[M+H-H2O]+ 416.31646 206.0
[M+HCOO]- 478.31740 234.5
[M+CH3COO]- 492.33305 236.0
[M+Na-2H]- 454.29387 211.1
[M]+ 433.31865 224.4
[M]- 433.31975 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.