CID 3061969

80085-38-7

Structural Information

Molecular Formula
C14H25N5OS
SMILES
CCN(CCCSC1=NN=NN1C)C(=O)C2CCCCC2
InChI
InChI=1S/C14H25N5OS/c1-3-19(13(20)12-8-5-4-6-9-12)10-7-11-21-14-15-16-17-18(14)2/h12H,3-11H2,1-2H3
InChIKey
UFWASESOQFUAQE-UHFFFAOYSA-N
Compound name
N-ethyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

311.17798 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18526 174.1
[M+Na]+ 334.16720 178.4
[M-H]- 310.17070 175.8
[M+NH4]+ 329.21180 185.9
[M+K]+ 350.14114 175.8
[M+H-H2O]+ 294.17524 163.9
[M+HCOO]- 356.17618 185.7
[M+CH3COO]- 370.19183 208.3
[M+Na-2H]- 332.15265 171.7
[M]+ 311.17743 175.1
[M]- 311.17853 175.1
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