CID 9579420

3-[(e)-cyclohexylmethyleneamino]-5-(2-furyl)-2-methyl-thieno[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1/N=C/C4CCCCC4
InChI
InChI=1S/C18H19N3O2S/c1-12-20-17-16(14(11-24-17)15-8-5-9-23-15)18(22)21(12)19-10-13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3/b19-10+
InChIKey
IMBMLEKBHZMPRN-VXLYETTFSA-N
Compound name
3-[(E)-cyclohexylmethylideneamino]-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1198 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.127076 178.8
[M+Na]+ 364.109018 189.0
[M-H]- 340.112524 190.0
[M+NH4]+ 359.153623 194.4
[M+K]+ 380.082958 184.8
[M+H-H2O]+ 324.117060 171.2
[M+HCOO]- 386.118001 197.1
[M+CH3COO]- 400.133651 190.9
[M+Na-2H]- 362.094466 178.4
[M]+ 341.11925142 182.8
[M]- 341.12034858 182.8
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.