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

1
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

patents stripe