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]+ 310.133226 170.9
[M+Na]+ 332.115168 178.6
[M-H]- 308.118674 173.1
[M+NH4]+ 327.159773 182.2
[M+K]+ 348.089108 174.9
[M+H-H2O]+ 292.123210 162.0
[M+HCOO]- 354.124151 184.4
[M+CH3COO]- 368.139801 204.2
[M+Na-2H]- 330.100616 172.6
[M]+ 309.12540142 174.1
[M]- 309.12649858 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.