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 177.9
[M+Na]+ 361.15562 185.6
[M-H]- 337.15912 182.0
[M+NH4]+ 356.20022 196.3
[M+K]+ 377.12956 181.9
[M+H-H2O]+ 321.16366 171.3
[M+HCOO]- 383.16460 195.1
[M+CH3COO]- 397.18025 214.3
[M+Na-2H]- 359.14107 178.5
[M]+ 338.16585 185.9
[M]- 338.16695 185.9
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

patents stripe