CID 2757266

439693-52-4

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂S

SMILES

CC(C)(C)C1=CC2=C(S1)C(=NC=N2)Cl

InChI

InChI=1S/C10H11ClN2S/c1-10(2,3)7-4-6-8(14-7)9(11)13-5-12-6/h4-5H,1-3H3

InChIKey

HRULXTDXJYTJPU-UHFFFAOYSA-N

Compound name

6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 226.03314 Da
Monoisotopic Mass: 4.0
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]+	227.040416	147.7
[M+Na]+	249.022358	160.8
[M-H]-	225.025864	151.1
[M+NH4]+	244.066963	168.7
[M+K]+	264.996298	155.8
[M+H-H2O]+	209.030400	142.5
[M+HCOO]-	271.031341	160.2
[M+CH3COO]-	285.046991	161.7
[M+Na-2H]-	247.007806	152.2
[M]+	226.03259142	154.4
[M]-	226.03368858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe