CID 3053093

N-butyl-n-(2-(5-tetrazolyl)ethyl)-p-toluenesulfonamide

Structural Information

Molecular Formula
C14H21N5O2S
SMILES
CCCCN(CCC1=NNN=N1)S(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C14H21N5O2S/c1-3-4-10-19(11-9-14-15-17-18-16-14)22(20,21)13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,15,16,17,18)
InChIKey
ZBYXZBYQQIAOAS-UHFFFAOYSA-N
Compound name
N-butyl-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1416 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14888 175.4
[M+Na]+ 346.13082 182.9
[M-H]- 322.13432 177.2
[M+NH4]+ 341.17542 186.1
[M+K]+ 362.10476 178.4
[M+H-H2O]+ 306.13886 166.0
[M+HCOO]- 368.13980 189.5
[M+CH3COO]- 382.15545 206.3
[M+Na-2H]- 344.11627 177.4
[M]+ 323.14105 179.3
[M]- 323.14215 179.3
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

No patent data available for this compound.