CID 2442208

568570-10-5

Structural Information

Molecular Formula
C13H16ClN3OS
SMILES
CC1=C(SC2=C1C(=NC(=N2)CN3CCOCC3)Cl)C
InChI
InChI=1S/C13H16ClN3OS/c1-8-9(2)19-13-11(8)12(14)15-10(16-13)7-17-3-5-18-6-4-17/h3-7H2,1-2H3
InChIKey
IFNLFJLUYQMTKG-UHFFFAOYSA-N
Compound name
4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

297.07025 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07753 165.3
[M+Na]+ 320.05947 176.8
[M-H]- 296.06297 170.2
[M+NH4]+ 315.10407 180.4
[M+K]+ 336.03341 172.1
[M+H-H2O]+ 280.06751 157.8
[M+HCOO]- 342.06845 173.6
[M+CH3COO]- 356.08410 177.0
[M+Na-2H]- 318.04492 166.0
[M]+ 297.06970 170.1
[M]- 297.07080 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.