CID 211610

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

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCCNC(C)C(=O)NC(C1CC1)C2=CC=CC=C2
InChI
InChI=1S/C16H24N2O/c1-3-11-17-12(2)16(19)18-15(14-9-10-14)13-7-5-4-6-8-13/h4-8,12,14-15,17H,3,9-11H2,1-2H3,(H,18,19)
InChIKey
HLPDHVREOIOHGF-UHFFFAOYSA-N
Compound name
N-[cyclopropyl(phenyl)methyl]-2-(propylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 158.2
[M+Na]+ 283.178088 162.5
[M-H]- 259.181594 164.7
[M+NH4]+ 278.222693 169.4
[M+K]+ 299.152028 159.1
[M+H-H2O]+ 243.186130 150.6
[M+HCOO]- 305.187071 180.8
[M+CH3COO]- 319.202721 206.1
[M+Na-2H]- 281.163536 160.8
[M]+ 260.18832142 159.3
[M]- 260.18941858 159.3
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.