CID 103125

Benzaldehyde, 4-[bis[2-(benzoyloxy)ethyl]amino]-

Structural Information

Molecular Formula
C25H23NO5
SMILES
C1=CC=C(C=C1)C(=O)OCCN(CCOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C=O
InChI
InChI=1S/C25H23NO5/c27-19-20-11-13-23(14-12-20)26(15-17-30-24(28)21-7-3-1-4-8-21)16-18-31-25(29)22-9-5-2-6-10-22/h1-14,19H,15-18H2
InChIKey
XQIVXOLGPXHEPI-UHFFFAOYSA-N
Compound name
2-[N-(2-benzoyloxyethyl)-4-formylanilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.15762 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16490 201.3
[M+Na]+ 440.14684 204.0
[M-H]- 416.15034 210.9
[M+NH4]+ 435.19144 210.1
[M+K]+ 456.12078 201.1
[M+H-H2O]+ 400.15488 189.8
[M+HCOO]- 462.15582 224.0
[M+CH3COO]- 476.17147 228.4
[M+Na-2H]- 438.13229 202.6
[M]+ 417.15707 205.5
[M]- 417.15817 205.5
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.