CID 827264

Vufb-10664

Structural Information

Molecular Formula
C21H24FNS
SMILES
CC(C)C1=CC\2=C(C=C1)SC3=C(/C2=C\CCN(C)C)C=CC(=C3)F
InChI
InChI=1S/C21H24FNS/c1-14(2)15-7-10-20-19(12-15)17(6-5-11-23(3)4)18-9-8-16(22)13-21(18)24-20/h6-10,12-14H,5,11H2,1-4H3/b17-6+
InChIKey
BSQQVIBIPIIXHP-UBKPWBPPSA-N
Compound name
(3E)-3-(6-fluoro-2-propan-2-ylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16135 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16863 179.3
[M+Na]+ 364.15057 186.2
[M-H]- 340.15407 183.9
[M+NH4]+ 359.19517 196.2
[M+K]+ 380.12451 180.4
[M+H-H2O]+ 324.15861 170.9
[M+HCOO]- 386.15955 192.3
[M+CH3COO]- 400.17520 221.2
[M+Na-2H]- 362.13602 179.4
[M]+ 341.16080 181.4
[M]- 341.16190 181.4
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.