CID 3053092

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

Structural Information

Molecular Formula
C13H19N5O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=NNN=N2)C(C)C
InChI
InChI=1S/C13H19N5O2S/c1-10(2)18(9-8-13-14-16-17-15-13)21(19,20)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,14,15,16,17)
InChIKey
KKZUSGQCSXEGDT-UHFFFAOYSA-N
Compound name
4-methyl-N-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.12595 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13323 168.9
[M+Na]+ 332.11517 178.6
[M+NH4]+ 327.15977 173.6
[M+K]+ 348.08911 175.0
[M-H]- 308.11867 168.7
[M+Na-2H]- 330.10062 174.2
[M]+ 309.12540 170.3
[M]- 309.12650 170.3
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.