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 167.0
[M+Na]+ 318.09952 175.5
[M-H]- 294.10302 169.2
[M+NH4]+ 313.14412 179.0
[M+K]+ 334.07346 171.4
[M+H-H2O]+ 278.10756 158.0
[M+HCOO]- 340.10850 181.8
[M+CH3COO]- 354.12415 200.4
[M+Na-2H]- 316.08497 170.0
[M]+ 295.10975 170.3
[M]- 295.11085 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.