CID 500318

Carbon monoxide; cobaltiocobalt; 9-(3-pyrrolidin-1-ylpropyl)thioxanthen-9-ol

Structural Information

Molecular Formula
C20H21NOS
SMILES
C1CCN(C1)C[CH][CH]C2(C3=CC=CC=C3SC4=CC=CC=C42)O
InChI
InChI=1S/C20H21NOS/c22-20(12-7-15-21-13-5-6-14-21)16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1-4,7-12,22H,5-6,13-15H2
InChIKey
AZPUGYFUSRWPQA-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1344 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14168 175.8
[M+Na]+ 346.12362 182.6
[M-H]- 322.12712 180.7
[M+NH4]+ 341.16822 194.2
[M+K]+ 362.09756 175.9
[M+H-H2O]+ 306.13166 168.3
[M+HCOO]- 368.13260 187.1
[M+CH3COO]- 382.14825 185.5
[M+Na-2H]- 344.10907 178.0
[M]+ 323.13385 174.9
[M]- 323.13495 174.9
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.