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]+ 441.27480 211.4
[M+Na]+ 463.25674 211.4
[M-H]- 439.26024 213.3
[M+NH4]+ 458.30134 218.1
[M+K]+ 479.23068 205.8
[M+H-H2O]+ 423.26478 201.2
[M+HCOO]- 485.26572 229.8
[M+CH3COO]- 499.28137 232.6
[M+Na-2H]- 461.24219 209.4
[M]+ 440.26697 213.0
[M]- 440.26807 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.