CID 3062257

N-ethyl-n-(2-hydroxycyclohexyl)-4-((1-methyl-1h-tetrazol-5-yl)thio)butanamide

Structural Information

Molecular Formula
C14H25N5O2S
SMILES
CCN(C1CCCCC1O)C(=O)CCCSC2=NN=NN2C
InChI
InChI=1S/C14H25N5O2S/c1-3-19(11-7-4-5-8-12(11)20)13(21)9-6-10-22-14-15-16-17-18(14)2/h11-12,20H,3-10H2,1-2H3
InChIKey
WDEVTYTUQHLYHJ-UHFFFAOYSA-N
Compound name
N-ethyl-N-(2-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

327.17288 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.18016 177.3
[M+Na]+ 350.16210 181.8
[M-H]- 326.16560 178.0
[M+NH4]+ 345.20670 187.9
[M+K]+ 366.13604 178.8
[M+H-H2O]+ 310.17014 167.7
[M+HCOO]- 372.17108 187.6
[M+CH3COO]- 386.18673 209.1
[M+Na-2H]- 348.14755 174.1
[M]+ 327.17233 178.3
[M]- 327.17343 178.3
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