CID 3020855

94160-07-3

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC(C)N(CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)CC(=O)N)O
InChI
InChI=1S/C21H28N2O3/c1-16(2)23(13-18-6-4-3-5-7-18)14-19(24)15-26-20-10-8-17(9-11-20)12-21(22)25/h3-11,16,19,24H,12-15H2,1-2H3,(H2,22,25)
InChIKey
CLOYEMVSCVWBME-UHFFFAOYSA-N
Compound name
2-[4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

356.21 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.217276 189.4
[M+Na]+ 379.199218 190.8
[M-H]- 355.202724 194.3
[M+NH4]+ 374.243823 200.4
[M+K]+ 395.173158 188.5
[M+H-H2O]+ 339.207260 180.0
[M+HCOO]- 401.208201 209.5
[M+CH3COO]- 415.223851 222.3
[M+Na-2H]- 377.184666 187.9
[M]+ 356.20945142 189.9
[M]- 356.21054858 189.9
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