CID 3001568

Nsc658733

Structural Information

Molecular Formula
C24H17N5OS2
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CSC3=NC(=O)C4(C5=CC=CC=C5C6=CC=CC=C64)NN23
InChI
InChI=1S/C24H17N5OS2/c30-21-24(18-12-6-4-10-16(18)17-11-5-7-13-19(17)24)28-29-20(14-32-23(29)27-21)26-22(31)25-15-8-2-1-3-9-15/h1-14,28H,(H2,25,26,31)
InChIKey
XHXGHDSOXSSWPR-UHFFFAOYSA-N
Compound name
1-(7-oxospiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-yl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

455.08746 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.09474 194.2
[M+Na]+ 478.07668 204.5
[M-H]- 454.08018 200.6
[M+NH4]+ 473.12128 207.8
[M+K]+ 494.05062 195.7
[M+H-H2O]+ 438.08472 187.9
[M+HCOO]- 500.08566 202.0
[M+CH3COO]- 514.10131 202.6
[M+Na-2H]- 476.06213 198.9
[M]+ 455.08691 195.4
[M]- 455.08801 195.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.