CID 211608

N-(alpha-cyclobutylbenzyl)-2-(propylamino)propionamide hydrochloride

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCCNC(C)C(=O)NC(C1CCC1)C2=CC=CC=C2
InChI
InChI=1S/C17H26N2O/c1-3-12-18-13(2)17(20)19-16(15-10-7-11-15)14-8-5-4-6-9-14/h4-6,8-9,13,15-16,18H,3,7,10-12H2,1-2H3,(H,19,20)
InChIKey
PYNJXVPFPALPHQ-UHFFFAOYSA-N
Compound name
N-[cyclobutyl(phenyl)methyl]-2-(propylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 173.2
[M+Na]+ 297.193718 172.7
[M-H]- 273.197224 177.9
[M+NH4]+ 292.238323 181.3
[M+K]+ 313.167658 173.8
[M+H-H2O]+ 257.201760 158.8
[M+HCOO]- 319.202701 192.2
[M+CH3COO]- 333.218351 209.0
[M+Na-2H]- 295.179166 172.9
[M]+ 274.20395142 178.6
[M]- 274.20504858 178.6
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.