CID 178122

168612-06-4

Structural Information

Molecular Formula

C₁₁H₂₁N₅OS

SMILES

CCCCNC(=O)CN1C(=S)N=NN1CCCC

InChI

InChI=1S/C11H21N5OS/c1-3-5-7-12-10(17)9-15-11(18)13-14-16(15)8-6-4-2/h3-9H2,1-2H3,(H,12,17)

InChIKey

WUZXYLARULJIJQ-UHFFFAOYSA-N

Compound name

N-butyl-2-(2-butyl-5-sulfanylidenetetrazol-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 271.14667 Da
Monoisotopic Mass: 3.2
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]+	272.153946	163.4
[M+Na]+	294.135888	171.7
[M-H]-	270.139394	162.0
[M+NH4]+	289.180493	177.1
[M+K]+	310.109828	167.7
[M+H-H2O]+	254.143930	154.7
[M+HCOO]-	316.144871	178.3
[M+CH3COO]-	330.160521	199.8
[M+Na-2H]-	292.121336	162.5
[M]+	271.14612142	168.3
[M]-	271.14721858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe