CID 71587095

57898-79-0

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C
InChI
InChI=1S/C17H26N2O4/c1-5-17(22)19-13-6-7-16(15(8-13)12(4)20)23-10-14(21)9-18-11(2)3/h6-8,11,14,18,21H,5,9-10H2,1-4H3,(H,19,22)
InChIKey
UJGDVPSHWFYNEV-UHFFFAOYSA-N
Compound name
N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.18927 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 178.9
[M+Na]+ 345.17849 185.6
[M+NH4]+ 340.22309 182.9
[M+K]+ 361.15243 182.4
[M-H]- 321.18199 178.6
[M+Na-2H]- 343.16394 180.3
[M]+ 322.18872 179.1
[M]- 322.18982 179.1
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

No patent data available for this compound.