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]+ 295.201616 173.6
[M+Na]+ 317.183558 176.0
[M-H]- 293.187064 174.8
[M+NH4]+ 312.228163 187.4
[M+K]+ 333.157498 174.2
[M+H-H2O]+ 277.191600 165.8
[M+HCOO]- 339.192541 194.1
[M+CH3COO]- 353.208191 208.3
[M+Na-2H]- 315.169006 173.6
[M]+ 294.19379142 174.5
[M]- 294.19488858 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.