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 174.1
[M+Na]+ 343.13116 181.5
[M-H]- 319.13466 177.5
[M+NH4]+ 338.17576 185.7
[M+K]+ 359.10510 177.7
[M+H-H2O]+ 303.13920 163.9
[M+HCOO]- 365.14014 190.9
[M+CH3COO]- 379.15579 213.3
[M+Na-2H]- 341.11661 174.8
[M]+ 320.14139 178.9
[M]- 320.14249 178.9
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