CID 377329

Nsc658730

Structural Information

Molecular Formula
C21H18N4OS2
SMILES
CC(C)(C)C1=NC(=S)SC2=NC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)NN12
InChI
InChI=1S/C21H18N4OS2/c1-20(2,3)16-22-19(27)28-18-23-17(26)21(24-25(16)18)14-10-6-4-8-12(14)13-9-5-7-11-15(13)21/h4-11,24H,1-3H3
InChIKey
HHKGMKZRPJIIPK-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-sulfanylidenespiro[6H-[1,2,4]triazino[3,2-b][1,3,5]thiadiazine-7,9'-fluorene]-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.0922 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09948 194.5
[M+Na]+ 429.08142 206.2
[M-H]- 405.08492 195.9
[M+NH4]+ 424.12602 207.8
[M+K]+ 445.05536 197.5
[M+H-H2O]+ 389.08946 187.6
[M+HCOO]- 451.09040 195.2
[M+CH3COO]- 465.10605 202.3
[M+Na-2H]- 427.06687 198.0
[M]+ 406.09165 195.9
[M]- 406.09275 195.9
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.