CID 3068053

Benzo(g)quinazolin-4(3h)-one, 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-

Structural Information

Molecular Formula
C17H14N4OS
SMILES
CCC1=NN=C(S1)N2C(=NC3=CC4=CC=CC=C4C=C3C2=O)C
InChI
InChI=1S/C17H14N4OS/c1-3-15-19-20-17(23-15)21-10(2)18-14-9-12-7-5-4-6-11(12)8-13(14)16(21)22/h4-9H,3H2,1-2H3
InChIKey
PPPQNUVQENUIDQ-UHFFFAOYSA-N
Compound name
3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzo[g]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.08884 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09612 175.1
[M+Na]+ 345.07806 189.7
[M-H]- 321.08156 180.3
[M+NH4]+ 340.12266 189.3
[M+K]+ 361.05200 182.1
[M+H-H2O]+ 305.08610 166.2
[M+HCOO]- 367.08704 190.4
[M+CH3COO]- 381.10269 187.0
[M+Na-2H]- 343.06351 178.8
[M]+ 322.08829 182.0
[M]- 322.08939 182.0
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.