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 170.9
[M+Na]+ 332.11517 178.6
[M-H]- 308.11867 173.1
[M+NH4]+ 327.15977 182.2
[M+K]+ 348.08911 174.9
[M+H-H2O]+ 292.12321 162.0
[M+HCOO]- 354.12415 184.4
[M+CH3COO]- 368.13980 204.2
[M+Na-2H]- 330.10062 172.6
[M]+ 309.12540 174.1
[M]- 309.12650 174.1
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

No patent data available for this compound.