CID 469955

Benzamide, n,n'-1,2-ethanediylbis[n-[1-(hydroxymethyl)propyl]-, d-

Structural Information

Molecular Formula
C24H32N2O4
SMILES
CCC(CO)N(CCN(C(CC)CO)C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H32N2O4/c1-3-21(17-27)25(23(29)19-11-7-5-8-12-19)15-16-26(22(4-2)18-28)24(30)20-13-9-6-10-14-20/h5-14,21-22,27-28H,3-4,15-18H2,1-2H3
InChIKey
RBEPHNJCSBHZCN-UHFFFAOYSA-N
Compound name
N-[2-[benzoyl(1-hydroxybutan-2-yl)amino]ethyl]-N-(1-hydroxybutan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.2362 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 204.6
[M+Na]+ 435.22542 203.5
[M-H]- 411.22892 209.2
[M+NH4]+ 430.27002 212.9
[M+K]+ 451.19936 202.2
[M+H-H2O]+ 395.23346 194.7
[M+HCOO]- 457.23440 222.7
[M+CH3COO]- 471.25005 232.3
[M+Na-2H]- 433.21087 201.1
[M]+ 412.23565 206.1
[M]- 412.23675 206.1
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.