CID 3062250

N-cyclohexyl-n-ethyl-4-((1-methyl-1h-tetrazol-5-yl)thio)butanamide

Structural Information

Molecular Formula
C14H25N5OS
SMILES
CCN(C1CCCCC1)C(=O)CCCSC2=NN=NN2C
InChI
InChI=1S/C14H25N5OS/c1-3-19(12-8-5-4-6-9-12)13(20)10-7-11-21-14-15-16-17-18(14)2/h12H,3-11H2,1-2H3
InChIKey
RWGGSNKUNTZVTC-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

311.17798 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18526 173.2
[M+Na]+ 334.16720 181.4
[M+NH4]+ 329.21180 179.0
[M+K]+ 350.14114 176.0
[M-H]- 310.17070 174.2
[M+Na-2H]- 332.15265 176.7
[M]+ 311.17743 174.6
[M]- 311.17853 174.6
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