CID 6857886

10100-06-8

Structural Information

Molecular Formula
C19H20FNS
SMILES
CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=C1C=C(C=C3)F
InChI
InChI=1S/C19H20FNS/c1-21(2)11-5-8-17-16-7-4-3-6-14(16)13-22-19-10-9-15(20)12-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3/b17-8-
InChIKey
AKROCKUZFQJECR-IUXPMGMMSA-N
Compound name
(3Z)-3-(2-fluoro-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.13004 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13732 167.8
[M+Na]+ 336.11926 178.8
[M+NH4]+ 331.16386 176.7
[M+K]+ 352.09320 169.6
[M-H]- 312.12276 171.4
[M+Na-2H]- 334.10471 173.7
[M]+ 313.12949 171.0
[M]- 313.13059 171.0
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.