CID 3062255

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

Structural Information

Molecular Formula
C14H20N6OS
SMILES
CN1C(=NN=N1)SCCCC(=O)NC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C14H20N6OS/c1-19(2)12-8-6-11(7-9-12)15-13(21)5-4-10-22-14-16-17-18-20(14)3/h6-9H,4-5,10H2,1-3H3,(H,15,21)
InChIKey
WKLKPZAMTNLNQV-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)phenyl]-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

320.14194 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14922 173.3
[M+Na]+ 343.13116 183.3
[M+NH4]+ 338.17576 178.7
[M+K]+ 359.10510 178.0
[M-H]- 319.13466 175.2
[M+Na-2H]- 341.11661 179.0
[M]+ 320.14139 175.3
[M]- 320.14249 175.3
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