CID 37060

Brn 2947085

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCNC(=O)C)O
InChI
InChI=1S/C16H26N2O3/c1-12(2)18-10-15(20)11-21-16-6-4-14(5-7-16)8-9-17-13(3)19/h4-7,12,15,18,20H,8-11H2,1-3H3,(H,17,19)
InChIKey
QYOIDQSBQSPHDO-UHFFFAOYSA-N
Compound name
N-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.19434 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.20162 173.6
[M+Na]+ 317.18356 176.0
[M-H]- 293.18706 174.8
[M+NH4]+ 312.22816 187.4
[M+K]+ 333.15750 174.2
[M+H-H2O]+ 277.19160 165.8
[M+HCOO]- 339.19254 194.1
[M+CH3COO]- 353.20819 208.3
[M+Na-2H]- 315.16901 173.6
[M]+ 294.19379 174.5
[M]- 294.19489 174.5
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.