CID 42381

57494-88-9

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)OCC(CNC(C)C)O
InChI
InChI=1S/C17H28N2O3/c1-5-19(6-2)17(21)14-7-9-16(10-8-14)22-12-15(20)11-18-13(3)4/h7-10,13,15,18,20H,5-6,11-12H2,1-4H3
InChIKey
XTDXDJGKJWTDPM-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.21 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.217276 178.4
[M+Na]+ 331.199218 180.6
[M-H]- 307.202724 180.9
[M+NH4]+ 326.243823 192.3
[M+K]+ 347.173158 180.0
[M+H-H2O]+ 291.207260 170.4
[M+HCOO]- 353.208201 199.1
[M+CH3COO]- 367.223851 214.6
[M+Na-2H]- 329.184666 177.2
[M]+ 308.20945142 181.0
[M]- 308.21054858 181.0
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.