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]+ 261.19615 158.2
[M+Na]+ 283.17809 162.5
[M-H]- 259.18159 164.7
[M+NH4]+ 278.22269 169.4
[M+K]+ 299.15203 159.1
[M+H-H2O]+ 243.18613 150.6
[M+HCOO]- 305.18707 180.8
[M+CH3COO]- 319.20272 206.1
[M+Na-2H]- 281.16354 160.8
[M]+ 260.18832 159.3
[M]- 260.18942 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.