CID 116630

Benzamide, n-[3-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-

Structural Information

Molecular Formula
C31H28N2O5
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)N(CCOC(=O)C3=CC=CC=C3)CCOC(=O)C4=CC=CC=C4
InChI
InChI=1S/C31H28N2O5/c34-29(24-11-4-1-5-12-24)32-27-17-10-18-28(23-27)33(19-21-37-30(35)25-13-6-2-7-14-25)20-22-38-31(36)26-15-8-3-9-16-26/h1-18,23H,19-22H2,(H,32,34)
InChIKey
JGMHLPARONGMDE-UHFFFAOYSA-N
Compound name
2-[3-benzamido-N-(2-benzoyloxyethyl)anilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

508.19983 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.20711 224.1
[M+Na]+ 531.18905 223.6
[M-H]- 507.19255 235.7
[M+NH4]+ 526.23365 227.7
[M+K]+ 547.16299 220.4
[M+H-H2O]+ 491.19709 210.5
[M+HCOO]- 553.19803 245.4
[M+CH3COO]- 567.21368 247.1
[M+Na-2H]- 529.17450 224.4
[M]+ 508.19928 225.8
[M]- 508.20038 225.8
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

patents stripe