CID 13719199

2-(phenylamino)-5h-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

Structural Information

Molecular Formula
C15H10N4OS
SMILES
C1=CC=C(C=C1)NC2=NN3C(=O)C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C15H10N4OS/c20-13-11-8-4-5-9-12(11)17-15-19(13)18-14(21-15)16-10-6-2-1-3-7-10/h1-9H,(H,16,18)
InChIKey
HCYYZDWMCDFRAI-UHFFFAOYSA-N
Compound name
2-anilino-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.05753 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06481 161.8
[M+Na]+ 317.04675 174.8
[M-H]- 293.05025 168.0
[M+NH4]+ 312.09135 177.7
[M+K]+ 333.02069 167.9
[M+H-H2O]+ 277.05479 153.5
[M+HCOO]- 339.05573 180.4
[M+CH3COO]- 353.07138 174.5
[M+Na-2H]- 315.03220 169.6
[M]+ 294.05698 166.4
[M]- 294.05808 166.4
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.