CID 214787

Ro 42

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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 159.8
[M+Na]+ 275.13662 167.4
[M+NH4]+ 270.18122 165.3
[M+K]+ 291.11056 163.9
[M-H]- 251.14012 160.3
[M+Na-2H]- 273.12207 162.9
[M]+ 252.14685 160.5
[M]- 252.14795 160.5
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.