CID 377324

Nsc658724

Structural Information

Molecular Formula
C17H13N3OS
SMILES
C1C(=O)N2C(=NCC3(N2)C4=CC=CC=C4C5=CC=CC=C35)S1
InChI
InChI=1S/C17H13N3OS/c21-15-9-22-16-18-10-17(19-20(15)16)13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8,19H,9-10H2
InChIKey
SFCYWECUCVNOBM-UHFFFAOYSA-N
Compound name
spiro[5,7-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.07794 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08522 168.7
[M+Na]+ 330.06716 180.2
[M-H]- 306.07066 172.7
[M+NH4]+ 325.11176 188.7
[M+K]+ 346.04110 173.2
[M+H-H2O]+ 290.07520 161.5
[M+HCOO]- 352.07614 179.4
[M+CH3COO]- 366.09179 179.6
[M+Na-2H]- 328.05261 171.4
[M]+ 307.07739 168.6
[M]- 307.07849 168.6
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.