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

35
Patents

293.1263 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.133576 166.9
[M+Na]+ 316.115518 172.1
[M-H]- 292.119024 171.4
[M+NH4]+ 311.160123 182.4
[M+K]+ 332.089458 172.1
[M+H-H2O]+ 276.123560 159.2
[M+HCOO]- 338.124501 190.7
[M+CH3COO]- 352.140151 206.9
[M+Na-2H]- 314.100966 168.5
[M]+ 293.12575142 173.6
[M]- 293.12684858 173.6
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

patents stripe