CID 423377

Solacaproine

Structural Information

Molecular Formula

C₁₈H₃₉N₃O

SMILES

CCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C

InChI

InChI=1S/C18H39N3O/c1-6-7-8-13-18(22)21(16-11-9-14-19(2)3)17-12-10-15-20(4)5/h6-17H2,1-5H3

InChIKey

KKYYJGJYEAKUMS-UHFFFAOYSA-N

Compound name

N,N-bis[4-(dimethylamino)butyl]hexanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 313.30933 Da
Monoisotopic Mass: 3.1
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]+	314.31661	189.5
[M+Na]+	336.29855	189.8
[M-H]-	312.30205	192.0
[M+NH4]+	331.34315	205.2
[M+K]+	352.27249	191.0
[M+H-H2O]+	296.30659	180.9
[M+HCOO]-	358.30753	213.2
[M+CH3COO]-	372.32318	229.6
[M+Na-2H]-	334.28400	187.2
[M]+	313.30878	196.7
[M]-	313.30988	196.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.