CID 3061970

Cyclopentanecarboxamide, n-ethyl-n-(3-((1-methyl-1h-tetrazol-5-yl)thio)propyl)-

Structural Information

Molecular Formula
C13H23N5OS
SMILES
CCN(CCCSC1=NN=NN1C)C(=O)C2CCCC2
InChI
InChI=1S/C13H23N5OS/c1-3-18(12(19)11-7-4-5-8-11)9-6-10-20-13-14-15-16-17(13)2/h11H,3-10H2,1-2H3
InChIKey
ILQSPLOAWFZQTB-UHFFFAOYSA-N
Compound name
N-ethyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

297.16232 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16960 170.6
[M+Na]+ 320.15154 176.4
[M-H]- 296.15504 173.5
[M+NH4]+ 315.19614 185.0
[M+K]+ 336.12548 174.8
[M+H-H2O]+ 280.15958 161.1
[M+HCOO]- 342.16052 184.9
[M+CH3COO]- 356.17617 205.2
[M+Na-2H]- 318.13699 166.9
[M]+ 297.16177 173.7
[M]- 297.16287 173.7
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