CID 435597

73698-50-7

Structural Information

Molecular Formula
C17H26N2O3S
SMILES
CCCCN(CCCC)CCN1C(=O)C2=CC=CC=C2S1(=O)=O
InChI
InChI=1S/C17H26N2O3S/c1-3-5-11-18(12-6-4-2)13-14-19-17(20)15-9-7-8-10-16(15)23(19,21)22/h7-10H,3-6,11-14H2,1-2H3
InChIKey
IEYZFSDKAODQAR-UHFFFAOYSA-N
Compound name
2-[2-(dibutylamino)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

338.1664 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17368 180.6
[M+Na]+ 361.15562 189.8
[M+NH4]+ 356.20022 188.4
[M+K]+ 377.12956 181.1
[M-H]- 337.15912 181.3
[M+Na-2H]- 359.14107 184.2
[M]+ 338.16585 182.5
[M]- 338.16695 182.5
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

patents stripe