CID 377333

Nsc658734

Structural Information

Molecular Formula
C21H17N5O2S
SMILES
C=CCNC(=O)NC1=CSC2=NC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)NN12
InChI
InChI=1S/C21H17N5O2S/c1-2-11-22-19(28)23-17-12-29-20-24-18(27)21(25-26(17)20)15-9-5-3-7-13(15)14-8-4-6-10-16(14)21/h2-10,12,25H,1,11H2,(H2,22,23,28)
InChIKey
PHWLYQXNFXOVMZ-UHFFFAOYSA-N
Compound name
1-(7-oxospiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-yl)-3-prop-2-enylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

403.1103 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.11758 188.9
[M+Na]+ 426.09952 198.3
[M-H]- 402.10302 192.8
[M+NH4]+ 421.14412 204.3
[M+K]+ 442.07346 190.7
[M+H-H2O]+ 386.10756 181.6
[M+HCOO]- 448.10850 201.0
[M+CH3COO]- 462.12415 197.8
[M+Na-2H]- 424.08497 192.5
[M]+ 403.10975 190.1
[M]- 403.11085 190.1
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.