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]+ 342.12708 178.8
[M+Na]+ 364.10902 189.0
[M-H]- 340.11252 190.0
[M+NH4]+ 359.15362 194.4
[M+K]+ 380.08296 184.8
[M+H-H2O]+ 324.11706 171.2
[M+HCOO]- 386.11800 197.1
[M+CH3COO]- 400.13365 190.9
[M+Na-2H]- 362.09447 178.4
[M]+ 341.11925 182.8
[M]- 341.12035 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.