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]+ 310.126016 169.2
[M+Na]+ 332.107958 176.8
[M-H]- 308.111464 175.4
[M+NH4]+ 327.152563 185.2
[M+K]+ 348.081898 169.9
[M+H-H2O]+ 292.116000 160.7
[M+HCOO]- 354.116941 180.1
[M+CH3COO]- 368.132591 179.3
[M+Na-2H]- 330.093406 171.7
[M]+ 309.11819142 166.2
[M]- 309.11928858 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.