CID 60891

Tiodazosin

Structural Information

Molecular Formula

C₁₈H₂₁N₇O₄S

SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=NN=C(O4)SC)N)OC

InChI

InChI=1S/C18H21N7O4S/c1-27-12-8-10-11(9-13(12)28-2)20-17(21-14(10)19)25-6-4-24(5-7-25)16(26)15-22-23-18(29-15)30-3/h8-9H,4-7H2,1-3H3,(H2,19,20,21)

InChIKey

MULPYFRDYRZMDS-UHFFFAOYSA-N

Compound name

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 550
Patents: 431.13757 Da
Monoisotopic Mass: 1.6
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]+	432.144846	201.6
[M+Na]+	454.126788	211.5
[M-H]-	430.130294	206.0
[M+NH4]+	449.171393	204.9
[M+K]+	470.100728	206.6
[M+H-H2O]+	414.134830	191.0
[M+HCOO]-	476.135771	210.4
[M+CH3COO]-	490.151421	209.2
[M+Na-2H]-	452.112236	200.4
[M]+	431.13702142	206.9
[M]-	431.13811858	206.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.