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

7
Patents

325.19363 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.20091 178.2
[M+Na]+ 348.18285 182.1
[M-H]- 324.18635 179.8
[M+NH4]+ 343.22745 189.4
[M+K]+ 364.15679 179.3
[M+H-H2O]+ 308.19089 167.8
[M+HCOO]- 370.19183 189.5
[M+CH3COO]- 384.20748 211.2
[M+Na-2H]- 346.16830 175.4
[M]+ 325.19308 179.6
[M]- 325.19418 179.6
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