CID 389613

N1,n8-diacetylspermidine

Structural Information

Molecular Formula

C₁₁H₂₃N₃O₂

SMILES

CC(=O)NCCCCNCCCNC(=O)C

InChI

InChI=1S/C11H23N3O2/c1-10(15)13-8-4-3-6-12-7-5-9-14-11(2)16/h12H,3-9H2,1-2H3,(H,13,15)(H,14,16)

InChIKey

BKCVMAZDKFQPHB-UHFFFAOYSA-N

Compound name

N-[4-(3-acetamidopropylamino)butyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 109
Patents: 229.17903 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	230.18631	157.3
[M+Na]+	252.16825	162.4
[M+NH4]+	247.21285	162.3
[M+K]+	268.14219	158.0
[M-H]-	228.17175	156.3
[M+Na-2H]-	250.15370	158.2
[M]+	229.17848	157.0
[M]-	229.17958	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe