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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	323.096116	175.1
[M+Na]+	345.078058	189.7
[M-H]-	321.081564	180.3
[M+NH4]+	340.122663	189.3
[M+K]+	361.051998	182.1
[M+H-H2O]+	305.086100	166.2
[M+HCOO]-	367.087041	190.4
[M+CH3COO]-	381.102691	187.0
[M+Na-2H]-	343.063506	178.8
[M]+	322.08829142	182.0
[M]-	322.08938858	182.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.