CID 3332961

({4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}methyl)dimethylamine

Structural Information

Molecular Formula
C11H14ClN3S
SMILES
CC1=C(SC2=C1C(=NC(=N2)CN(C)C)Cl)C
InChI
InChI=1S/C11H14ClN3S/c1-6-7(2)16-11-9(6)10(12)13-8(14-11)5-15(3)4/h5H2,1-4H3
InChIKey
SJZKLCRFLKMTHN-UHFFFAOYSA-N
Compound name
1-(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.0597 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06698 154.1
[M+Na]+ 278.04892 167.1
[M-H]- 254.05242 158.9
[M+NH4]+ 273.09352 174.5
[M+K]+ 294.02286 162.6
[M+H-H2O]+ 238.05696 148.1
[M+HCOO]- 300.05790 169.1
[M+CH3COO]- 314.07355 200.1
[M+Na-2H]- 276.03437 156.0
[M]+ 255.05915 163.0
[M]- 255.06025 163.0
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.