CID 109444

68516-53-0

Structural Information

Molecular Formula
C24H24N2O4
SMILES
C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CC=C3)O)O
InChI
InChI=1S/C24H24N2O4/c27-21(17-7-3-1-4-8-17)15-25-23(29)19-11-13-20(14-12-19)24(30)26-16-22(28)18-9-5-2-6-10-18/h1-14,21-22,27-28H,15-16H2,(H,25,29)(H,26,30)
InChIKey
NJOZAOOXNZSRHB-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(2-hydroxy-2-phenylethyl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1736 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18088 196.4
[M+Na]+ 427.16282 196.9
[M-H]- 403.16632 202.2
[M+NH4]+ 422.20742 203.5
[M+K]+ 443.13676 192.7
[M+H-H2O]+ 387.17086 186.3
[M+HCOO]- 449.17180 214.8
[M+CH3COO]- 463.18745 223.6
[M+Na-2H]- 425.14827 196.6
[M]+ 404.17305 193.2
[M]- 404.17415 193.2
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.