CID 3068050

5h-benzo(g)-1,3,4-thiadiazolo(2,3-b)quinazolin-5-one, 2-ethyl-

Structural Information

Molecular Formula
C15H11N3OS
SMILES
CCC1=NN2C(=O)C3=CC4=CC=CC=C4C=C3N=C2S1
InChI
InChI=1S/C15H11N3OS/c1-2-13-17-18-14(19)11-7-9-5-3-4-6-10(9)8-12(11)16-15(18)20-13/h3-8H,2H2,1H3
InChIKey
RIHBDEGQRWHDDI-UHFFFAOYSA-N
Compound name
14-ethyl-13-thia-11,15,16-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,11,14-heptaen-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0623 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06958 160.8
[M+Na]+ 304.05152 176.4
[M-H]- 280.05502 165.3
[M+NH4]+ 299.09612 179.3
[M+K]+ 320.02546 169.5
[M+H-H2O]+ 264.05956 153.4
[M+HCOO]- 326.06050 178.1
[M+CH3COO]- 340.07615 174.3
[M+Na-2H]- 302.03697 168.2
[M]+ 281.06175 169.1
[M]- 281.06285 169.1
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.