CID 18385

N-(3-(cyclohexylamino)propyl)mandelamide

Structural Information

Molecular Formula
C17H26N2O2
SMILES
C1CCC(CC1)NCCCNC(=O)C(C2=CC=CC=C2)O
InChI
InChI=1S/C17H26N2O2/c20-16(14-8-3-1-4-9-14)17(21)19-13-7-12-18-15-10-5-2-6-11-15/h1,3-4,8-9,15-16,18,20H,2,5-7,10-13H2,(H,19,21)
InChIKey
LCQIGJKHTYKKKW-UHFFFAOYSA-N
Compound name
N-[3-(cyclohexylamino)propyl]-2-hydroxy-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 170.2
[M+Na]+ 313.188648 169.8
[M-H]- 289.192154 173.2
[M+NH4]+ 308.233253 183.2
[M+K]+ 329.162588 166.4
[M+H-H2O]+ 273.196690 161.7
[M+HCOO]- 335.197631 188.3
[M+CH3COO]- 349.213281 203.9
[M+Na-2H]- 311.174096 171.6
[M]+ 290.19888142 163.5
[M]- 290.19997858 163.5
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.