CID 2803427

Maybridge4_000389

Structural Information

Molecular Formula

C₂₃H₂₃N₃O₄S

SMILES

CC1=C(SC2=NC(=NC(=C12)N)C3=CC(=CC(=C3)OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H23N3O4S/c1-12-19-21(24)25-22(14-8-15(27-2)11-16(9-14)28-3)26-23(19)31-20(12)13-6-7-17(29-4)18(10-13)30-5/h6-11H,1-5H3,(H2,24,25,26)

InChIKey

QEEOTZDNPMEFRT-UHFFFAOYSA-N

Compound name

6-(3,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 437.14093 Da
Monoisotopic Mass: 4.8
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]+	438.148206	206.0
[M+Na]+	460.130148	217.7
[M-H]-	436.133654	215.7
[M+NH4]+	455.174753	216.5
[M+K]+	476.104088	212.1
[M+H-H2O]+	420.138190	196.3
[M+HCOO]-	482.139131	223.9
[M+CH3COO]-	496.154781	216.5
[M+Na-2H]-	458.115596	204.9
[M]+	437.14038142	216.9
[M]-	437.14147858	216.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.