CID 328729

4-[bis[2-(acetyloxy)ethyl]amino]benzaldehyde

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C15H19NO5/c1-12(18)20-9-7-16(8-10-21-13(2)19)15-5-3-14(11-17)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKey
HYLXLGFSGXFLFE-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-4-formylanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

293.1263 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 167.1
[M+Na]+ 316.11552 176.2
[M+NH4]+ 311.16012 172.0
[M+K]+ 332.08946 171.9
[M-H]- 292.11902 167.1
[M+Na-2H]- 314.10097 170.7
[M]+ 293.12575 167.9
[M]- 293.12685 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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