CID 162345432

Ns00133524

Structural Information

Molecular Formula
C18H28N2O5
SMILES
CCCC(=O)NC1=C(C=C(C(=C1)C(=O)C)OCC(CNC(C)C)O)O
InChI
InChI=1S/C18H28N2O5/c1-5-6-18(24)20-15-7-14(12(4)21)17(8-16(15)23)25-10-13(22)9-19-11(2)3/h7-8,11,13,19,22-23H,5-6,9-10H2,1-4H3,(H,20,24)
InChIKey
QBGOHOZLVRCWMZ-UHFFFAOYSA-N
Compound name
N-[5-acetyl-2-hydroxy-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.19983 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.207106 186.1
[M+Na]+ 375.189048 188.8
[M-H]- 351.192554 186.3
[M+NH4]+ 370.233653 197.0
[M+K]+ 391.162988 187.3
[M+H-H2O]+ 335.197090 178.5
[M+HCOO]- 397.198031 204.0
[M+CH3COO]- 411.213681 219.2
[M+Na-2H]- 373.174496 182.4
[M]+ 352.19928142 188.2
[M]- 352.20037858 188.2
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

No patent data available for this compound.