CID 3034244

Hexanamide, n-[3-(2,5-dihydro-5-thioxo-1h-tetrazol-1-yl)phenyl]-

Structural Information

Molecular Formula
C13H17N5OS
SMILES
CCCCCC(=O)NC1=CC(=CC=C1)N2C(=S)N=NN2
InChI
InChI=1S/C13H17N5OS/c1-2-3-4-8-12(19)14-10-6-5-7-11(9-10)18-13(20)15-16-17-18/h5-7,9H,2-4,8H2,1H3,(H,14,19)(H,15,17,20)
InChIKey
YWOUQJSJOIEEIW-UHFFFAOYSA-N
Compound name
N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

291.1154 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12268 166.5
[M+Na]+ 314.10462 175.0
[M-H]- 290.10812 167.2
[M+NH4]+ 309.14922 178.3
[M+K]+ 330.07856 168.7
[M+H-H2O]+ 274.11266 157.4
[M+HCOO]- 336.11360 180.9
[M+CH3COO]- 350.12925 199.0
[M+Na-2H]- 312.09007 166.9
[M]+ 291.11485 167.9
[M]- 291.11595 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe