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

22
Patents

266.16306 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.170336 164.5
[M+Na]+ 289.152278 168.7
[M-H]- 265.155784 166.0
[M+NH4]+ 284.196883 179.4
[M+K]+ 305.126218 167.1
[M+H-H2O]+ 249.160320 157.5
[M+HCOO]- 311.161261 185.1
[M+CH3COO]- 325.176911 203.7
[M+Na-2H]- 287.137726 163.8
[M]+ 266.16251142 164.2
[M]- 266.16360858 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