CID 460421

(2s)-2-acetamido-n-benzyl-6-(propylamino)hexanamide

Structural Information

Molecular Formula
C18H29N3O2
SMILES
CCCNCCCC[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)C
InChI
InChI=1S/C18H29N3O2/c1-3-12-19-13-8-7-11-17(21-15(2)22)18(23)20-14-16-9-5-4-6-10-16/h4-6,9-10,17,19H,3,7-8,11-14H2,1-2H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKey
IGIPPHOXHMXKKK-KRWDZBQOSA-N
Compound name
(2S)-2-acetamido-N-benzyl-6-(propylamino)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.22598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.23326 181.9
[M+Na]+ 342.21520 182.5
[M-H]- 318.21870 183.8
[M+NH4]+ 337.25980 194.8
[M+K]+ 358.18914 179.9
[M+H-H2O]+ 302.22324 173.1
[M+HCOO]- 364.22418 204.3
[M+CH3COO]- 378.23983 217.1
[M+Na-2H]- 340.20065 182.5
[M]+ 319.22543 182.1
[M]- 319.22653 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.