CID 3053090

69518-37-2

Structural Information

Molecular Formula
C12H17N5O2S
SMILES
CCN(CCC1=NNN=N1)S(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C12H17N5O2S/c1-3-17(9-8-12-13-15-16-14-12)20(18,19)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14,15,16)
InChIKey
OAHJKFWHVWPPMU-UHFFFAOYSA-N
Compound name
N-ethyl-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1103 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11758 165.5
[M+Na]+ 318.09952 175.8
[M+NH4]+ 313.14412 170.5
[M+K]+ 334.07346 171.5
[M-H]- 294.10302 165.5
[M+Na-2H]- 316.08497 171.2
[M]+ 295.10975 167.1
[M]- 295.11085 167.1
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.