CID 3062252

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

Structural Information

Molecular Formula
C12H21N5OS
SMILES
CN1C(=NN=N1)SCCCC(=O)NC2CCCCC2
InChI
InChI=1S/C12H21N5OS/c1-17-12(14-15-16-17)19-9-5-8-11(18)13-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H,13,18)
InChIKey
BSQYHCRAVZTITA-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

283.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.15395 165.4
[M+Na]+ 306.13589 170.5
[M-H]- 282.13939 166.0
[M+NH4]+ 301.18049 177.7
[M+K]+ 322.10983 167.0
[M+H-H2O]+ 266.14393 155.7
[M+HCOO]- 328.14487 177.2
[M+CH3COO]- 342.16052 199.1
[M+Na-2H]- 304.12134 164.6
[M]+ 283.14612 164.5
[M]- 283.14722 164.5
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