CID 155703

1-[5-amino-2-[(2rs)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]ethanone dihydrochloride

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CC(C)NCC(COC1=C(C=C(C=C1)N)C(=O)C)O
InChI
InChI=1S/C14H22N2O3/c1-9(2)16-7-12(18)8-19-14-5-4-11(15)6-13(14)10(3)17/h4-6,9,12,16,18H,7-8,15H2,1-3H3
InChIKey
DBUJVRULIBQHKT-UHFFFAOYSA-N
Compound name
1-[5-amino-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

266.16306 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 164.5
[M+Na]+ 289.15228 168.7
[M-H]- 265.15578 166.0
[M+NH4]+ 284.19688 179.4
[M+K]+ 305.12622 167.1
[M+H-H2O]+ 249.16032 157.5
[M+HCOO]- 311.16126 185.1
[M+CH3COO]- 325.17691 203.7
[M+Na-2H]- 287.13773 163.8
[M]+ 266.16251 164.2
[M]- 266.16361 164.2
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

patents stripe