CID 6444730

4-(3-dimethylaminopropylidene)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin-10,10-dioxide hcl

Structural Information

Molecular Formula
C17H19NO2S2
SMILES
CN(C)CC/C=C\1/C2=C(SC=C2)S(=O)(=O)CC3=CC=CC=C31
InChI
InChI=1S/C17H19NO2S2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-22(19,20)17-16(15)9-11-21-17/h3-4,6-9,11H,5,10,12H2,1-2H3/b15-8+
InChIKey
OOEHFEQQCLAPMO-OVCLIPMQSA-N
Compound name
(3E)-3-(4,4-dioxo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.08572 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09300 173.3
[M+Na]+ 356.07494 182.2
[M+NH4]+ 351.11954 182.8
[M+K]+ 372.04888 172.8
[M-H]- 332.07844 176.0
[M+Na-2H]- 354.06039 178.3
[M]+ 333.08517 176.4
[M]- 333.08627 176.4
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.