CID 360699

Nsc623035

Structural Information

Molecular Formula

C₁₉H₃₇N₃O

SMILES

CCCCCCCCCCCCCCCCCC1=NN=C(O1)N

InChI

InChI=1S/C19H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19(20)23-18/h2-17H2,1H3,(H2,20,22)

InChIKey

BYSGGXHBCBERTD-UHFFFAOYSA-N

Compound name

5-heptadecyl-1,3,4-oxadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.29367 Da
Monoisotopic Mass: 7.4
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]+	324.30095	187.1
[M+Na]+	346.28289	190.1
[M-H]-	322.28639	186.0
[M+NH4]+	341.32749	198.8
[M+K]+	362.25683	186.7
[M+H-H2O]+	306.29093	177.4
[M+HCOO]-	368.29187	206.1
[M+CH3COO]-	382.30752	214.0
[M+Na-2H]-	344.26834	186.9
[M]+	323.29312	192.9
[M]-	323.29422	192.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.