CID 131751149

N-heptanoylsolamine

Structural Information

Molecular Formula

C₁₉H₄₁N₃O

SMILES

CCCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C

InChI

InChI=1S/C19H41N3O/c1-6-7-8-9-14-19(23)22(17-12-10-15-20(2)3)18-13-11-16-21(4)5/h6-18H2,1-5H3

InChIKey

PPWRHGUJPRPAQC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 327.32495 Da
Monoisotopic Mass: 3.7
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]+	328.33223	194.1
[M+Na]+	350.31417	194.0
[M-H]-	326.31767	196.3
[M+NH4]+	345.35877	209.2
[M+K]+	366.28811	194.8
[M+H-H2O]+	310.32221	185.2
[M+HCOO]-	372.32315	217.5
[M+CH3COO]-	386.33880	232.5
[M+Na-2H]-	348.29962	191.2
[M]+	327.32440	201.6
[M]-	327.32550	201.6

Literature stripe

literature stripe

Patent stripe

patents stripe