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]+ 337.175796 180.7
[M+Na]+ 359.157738 183.8
[M-H]- 335.161244 184.8
[M+NH4]+ 354.202343 194.0
[M+K]+ 375.131678 184.1
[M+H-H2O]+ 319.165780 172.3
[M+HCOO]- 381.166721 203.9
[M+CH3COO]- 395.182371 218.3
[M+Na-2H]- 357.143186 180.4
[M]+ 336.16797142 186.6
[M]- 336.16906858 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