CID 363958

Nsc629495

Structural Information

Molecular Formula
C17H14N4O2S
SMILES
CN1C2(C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4)SC=N1
InChI
InChI=1S/C17H14N4O2S/c1-19-17(24-12-18-19)15(22)20(13-8-4-2-5-9-13)16(23)21(17)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey
BUSZCAPEDRBNFE-UHFFFAOYSA-N
Compound name
4-methyl-6,8-diphenyl-1-thia-3,4,6,8-tetrazaspiro[4.4]non-2-ene-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.08374 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09102 178.0
[M+Na]+ 361.07296 189.4
[M-H]- 337.07646 186.4
[M+NH4]+ 356.11756 192.8
[M+K]+ 377.04690 183.7
[M+H-H2O]+ 321.08100 169.0
[M+HCOO]- 383.08194 192.6
[M+CH3COO]- 397.09759 189.2
[M+Na-2H]- 359.05841 176.3
[M]+ 338.08319 179.4
[M]- 338.08429 179.4
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.