CID 2393289

4-({4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl}methyl)morpholine

Structural Information

Molecular Formula
C17H16ClN3OS
SMILES
C1COCCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=N2)Cl
InChI
InChI=1S/C17H16ClN3OS/c18-16-15-13(12-4-2-1-3-5-12)11-23-17(15)20-14(19-16)10-21-6-8-22-9-7-21/h1-5,11H,6-10H2
InChIKey
GUTWGBRZKXGUIT-UHFFFAOYSA-N
Compound name
4-[(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

345.07025 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.07753 176.0
[M+Na]+ 368.05947 193.4
[M+NH4]+ 363.10407 185.6
[M+K]+ 384.03341 183.7
[M-H]- 344.06297 183.4
[M+Na-2H]- 366.04492 185.0
[M]+ 345.06970 181.6
[M]- 345.07080 181.6
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

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