CID 377326

Nsc658727

Structural Information

Molecular Formula
C16H15N3OS
SMILES
CSC1NC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)NN1
InChI
InChI=1S/C16H15N3OS/c1-21-15-17-14(20)16(19-18-15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)16/h2-9,15,18-19H,1H3,(H,17,20)
InChIKey
ANYJAMUCTBLJNG-UHFFFAOYSA-N
Compound name
3-methylsulfanylspiro[1,2,4-triazinane-6,9'-fluorene]-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0936 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10088 166.3
[M+Na]+ 320.08282 175.9
[M-H]- 296.08632 165.9
[M+NH4]+ 315.12742 182.6
[M+K]+ 336.05676 167.4
[M+H-H2O]+ 280.09086 159.3
[M+HCOO]- 342.09180 173.4
[M+CH3COO]- 356.10745 175.4
[M+Na-2H]- 318.06827 169.6
[M]+ 297.09305 162.4
[M]- 297.09415 162.4
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.