CID 12509202

[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

Structural Information

Molecular Formula
C9H5N3OS
SMILES
C1=CC=C2C(=C1)C(=O)N3C(=N2)SC=N3
InChI
InChI=1S/C9H5N3OS/c13-8-6-3-1-2-4-7(6)11-9-12(8)10-5-14-9/h1-5H
InChIKey
JGMNFWPNLNQJTJ-UHFFFAOYSA-N
Compound name
[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01534 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02262 137.2
[M+Na]+ 226.00456 151.5
[M-H]- 202.00806 140.4
[M+NH4]+ 221.04916 157.5
[M+K]+ 241.97850 146.9
[M+H-H2O]+ 186.01260 130.6
[M+HCOO]- 248.01354 155.5
[M+CH3COO]- 262.02919 151.8
[M+Na-2H]- 223.99001 145.2
[M]+ 203.01479 142.6
[M]- 203.01589 142.6
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.