CID 3053091

69518-38-3

Structural Information

Molecular Formula
C13H19N5O2S
SMILES
CCCN(CCC1=NNN=N1)S(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C13H19N5O2S/c1-3-9-18(10-8-13-14-16-17-15-13)21(19,20)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,14,15,16,17)
InChIKey
LPUGRRNWLNWQMA-UHFFFAOYSA-N
Compound name
4-methyl-N-propyl-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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13323 171.2
[M+Na]+ 332.11517 179.2
[M-H]- 308.11867 173.2
[M+NH4]+ 327.15977 182.6
[M+K]+ 348.08911 174.9
[M+H-H2O]+ 292.12321 162.0
[M+HCOO]- 354.12415 185.7
[M+CH3COO]- 368.13980 203.4
[M+Na-2H]- 330.10062 173.7
[M]+ 309.12540 174.9
[M]- 309.12650 174.9
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

No patent data available for this compound.