CID 109443

1,4-benzenedicarboxamide, n,n'-bis(2-hydroxy-1-methyl-2-phenylethyl)-

Structural Information

Molecular Formula
C26H28N2O4
SMILES
CC(C(C1=CC=CC=C1)O)NC(=O)C2=CC=C(C=C2)C(=O)NC(C)C(C3=CC=CC=C3)O
InChI
InChI=1S/C26H28N2O4/c1-17(23(29)19-9-5-3-6-10-19)27-25(31)21-13-15-22(16-14-21)26(32)28-18(2)24(30)20-11-7-4-8-12-20/h3-18,23-24,29-30H,1-2H3,(H,27,31)(H,28,32)
InChIKey
DQVRAQFDRAUKGI-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(1-hydroxy-1-phenylpropan-2-yl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2049 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21218 204.9
[M+Na]+ 455.19412 203.9
[M-H]- 431.19762 210.4
[M+NH4]+ 450.23872 210.6
[M+K]+ 471.16806 200.8
[M+H-H2O]+ 415.20216 194.9
[M+HCOO]- 477.20310 220.6
[M+CH3COO]- 491.21875 231.4
[M+Na-2H]- 453.17957 201.9
[M]+ 432.20435 201.2
[M]- 432.20545 201.2
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.