CID 3076082

Brn 3630934

Structural Information

Molecular Formula
C26H36N2O4
SMILES
C1=CC=C(C(=C1)C(=O)NCCCCCCCCCCCCNC(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C26H36N2O4/c29-23-17-11-9-15-21(23)25(31)27-19-13-7-5-3-1-2-4-6-8-14-20-28-26(32)22-16-10-12-18-24(22)30/h9-12,15-18,29-30H,1-8,13-14,19-20H2,(H,27,31)(H,28,32)
InChIKey
VLPUEXPCAHSTEB-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.26752 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.274796 211.4
[M+Na]+ 463.256738 211.4
[M-H]- 439.260244 213.3
[M+NH4]+ 458.301343 218.1
[M+K]+ 479.230678 205.8
[M+H-H2O]+ 423.264780 201.2
[M+HCOO]- 485.265721 229.8
[M+CH3COO]- 499.281371 232.6
[M+Na-2H]- 461.242186 209.4
[M]+ 440.26697142 213.0
[M]- 440.26806858 213.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.