CID 90463

Propanamide, n-[3-[bis[2-(acetyloxy)ethyl]amino]phenyl]-

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 180.7
[M+Na]+ 359.15774 183.8
[M-H]- 335.16124 184.8
[M+NH4]+ 354.20234 194.0
[M+K]+ 375.13168 184.1
[M+H-H2O]+ 319.16578 172.3
[M+HCOO]- 381.16672 203.9
[M+CH3COO]- 395.18237 218.3
[M+Na-2H]- 357.14319 180.4
[M]+ 336.16797 186.6
[M]- 336.16907 186.6
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