CID 97492

(-)-deoxylupanoline

Structural Information

Molecular Formula

C₁₅H₂₄N₂O

SMILES

C1CCN2CC3CC(C2C1)C(=O)N4C3CCCC4

InChI

InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2

InChIKey

YQMWQSMYVPLYDI-UHFFFAOYSA-N

Compound name

7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 135
Patents: 248.18886 Da
Monoisotopic Mass: 1.7
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]+	249.19614	158.3
[M+Na]+	271.17808	160.9
[M-H]-	247.18158	157.4
[M+NH4]+	266.22268	175.6
[M+K]+	287.15202	156.3
[M+H-H2O]+	231.18612	148.9
[M+HCOO]-	293.18706	164.2
[M+CH3COO]-	307.20271	166.0
[M+Na-2H]-	269.16353	161.6
[M]+	248.18831	147.9
[M]-	248.18941	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe