CID 214809

Brn 2116323

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)C(=O)N)O
InChI
InChI=1S/C13H20N2O3/c1-9(2)15-7-11(16)8-18-12-5-3-10(4-6-12)13(14)17/h3-6,9,11,15-16H,7-8H2,1-2H3,(H2,14,17)
InChIKey
GKCXZIYBNFXMHE-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.1474 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 160.1
[M+Na]+ 275.13662 163.8
[M-H]- 251.14012 161.3
[M+NH4]+ 270.18122 175.3
[M+K]+ 291.11056 162.3
[M+H-H2O]+ 235.14466 152.9
[M+HCOO]- 297.14560 181.0
[M+CH3COO]- 311.16125 199.4
[M+Na-2H]- 273.12207 160.6
[M]+ 252.14685 159.0
[M]- 252.14795 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.