CID 319292

Nsc262441

Structural Information

Molecular Formula
C14H22N2O2S
SMILES
CCN(CC)CC(C)C1C2=CC=CC=C2S(=O)(=O)N1
InChI
InChI=1S/C14H22N2O2S/c1-4-16(5-2)10-11(3)14-12-8-6-7-9-13(12)19(17,18)15-14/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKey
ZOHWPTRUYUSHAN-UHFFFAOYSA-N
Compound name
2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1402 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14748 163.7
[M+Na]+ 305.12942 171.1
[M-H]- 281.13292 166.8
[M+NH4]+ 300.17402 183.6
[M+K]+ 321.10336 167.9
[M+H-H2O]+ 265.13746 158.0
[M+HCOO]- 327.13840 179.0
[M+CH3COO]- 341.15405 201.3
[M+Na-2H]- 303.11487 164.7
[M]+ 282.13965 167.2
[M]- 282.14075 167.2
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.