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]+ 275.21178 173.2
[M+Na]+ 297.19372 172.7
[M-H]- 273.19722 177.9
[M+NH4]+ 292.23832 181.3
[M+K]+ 313.16766 173.8
[M+H-H2O]+ 257.20176 158.8
[M+HCOO]- 319.20270 192.2
[M+CH3COO]- 333.21835 209.0
[M+Na-2H]- 295.17917 172.9
[M]+ 274.20395 178.6
[M]- 274.20505 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.