CID 3062258

80472-73-7

Structural Information

Molecular Formula

C₁₅H₂₇N₅OS

SMILES

CCN(C1CCCCC1)C(=O)CCCCSC2=NN=NN2C

InChI

InChI=1S/C15H27N5OS/c1-3-20(13-9-5-4-6-10-13)14(21)11-7-8-12-22-15-16-17-18-19(15)2/h13H,3-12H2,1-2H3

InChIKey

RDAFXSPQODNGDE-UHFFFAOYSA-N

Compound name

N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 325.19363 Da
Monoisotopic Mass: 2.7
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]+	326.200906	178.2
[M+Na]+	348.182848	182.1
[M-H]-	324.186354	179.8
[M+NH4]+	343.227453	189.4
[M+K]+	364.156788	179.3
[M+H-H2O]+	308.190890	167.8
[M+HCOO]-	370.191831	189.5
[M+CH3COO]-	384.207481	211.2
[M+Na-2H]-	346.168296	175.4
[M]+	325.19308142	179.6
[M]-	325.19417858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe