CID 90463

24311-37-3

Structural Information

Molecular Formula
C17H24N2O5
SMILES
CCC(=O)NC1=CC(=CC=C1)N(CCOC(=O)C)CCOC(=O)C
InChI
InChI=1S/C17H24N2O5/c1-4-17(22)18-15-6-5-7-16(12-15)19(8-10-23-13(2)20)9-11-24-14(3)21/h5-7,12H,4,8-11H2,1-3H3,(H,18,22)
InChIKey
VFMLUXFDWFQZNA-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-3-(propanoylamino)anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

336.16852 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17580 179.9
[M+Na]+ 359.15774 186.9
[M+NH4]+ 354.20234 183.8
[M+K]+ 375.13168 183.4
[M-H]- 335.16124 179.8
[M+Na-2H]- 357.14319 182.3
[M]+ 336.16797 180.2
[M]- 336.16907 180.2
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