CID 214788

Ro 44

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CC(C)(C)NCC(COC1=CC=CC(=C1)C(=O)N)O
InChI
InChI=1S/C14H22N2O3/c1-14(2,3)16-8-11(17)9-19-12-6-4-5-10(7-12)13(15)18/h4-7,11,16-17H,8-9H2,1-3H3,(H2,15,18)
InChIKey
PXLOHHPIUQSYNA-UHFFFAOYSA-N
Compound name
3-[3-(tert-butylamino)-2-hydroxypropoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16306 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 163.9
[M+Na]+ 289.15228 167.9
[M-H]- 265.15578 165.2
[M+NH4]+ 284.19688 178.8
[M+K]+ 305.12622 166.1
[M+H-H2O]+ 249.16032 157.2
[M+HCOO]- 311.16126 183.9
[M+CH3COO]- 325.17691 201.2
[M+Na-2H]- 287.13773 166.1
[M]+ 266.16251 163.2
[M]- 266.16361 163.2
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

No patent data available for this compound.