CID 67565

314-01-2

Structural Information

Molecular Formula
C19H19NOS
SMILES
CN1CCC(=C2C3=CC=CC=C3S(=O)C4=CC=CC=C42)CC1
InChI
InChI=1S/C19H19NOS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)22(21)18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3
InChIKey
RBCUPYDCPIWHNX-UHFFFAOYSA-N
Compound name
9-(1-methylpiperidin-4-ylidene)thioxanthene 10-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11874 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12602 169.2
[M+Na]+ 332.10796 176.8
[M-H]- 308.11146 175.4
[M+NH4]+ 327.15256 185.2
[M+K]+ 348.08190 169.9
[M+H-H2O]+ 292.11600 160.7
[M+HCOO]- 354.11694 180.1
[M+CH3COO]- 368.13259 179.3
[M+Na-2H]- 330.09341 171.7
[M]+ 309.11819 166.2
[M]- 309.11929 166.2
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.