CID 9579414

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

Structural Information

Molecular Formula
C18H11F2N3O2S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1/N=C/C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C18H11F2N3O2S/c1-10-22-17-16(13(9-26-17)15-3-2-6-25-15)18(24)23(10)21-8-11-4-5-12(19)7-14(11)20/h2-9H,1H3/b21-8+
InChIKey
HIWTZEJQLLIUSL-ODCIPOBUSA-N
Compound name
3-[(E)-(2,4-difluorophenyl)methylideneamino]-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

371.05402 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.06130 182.9
[M+Na]+ 394.04324 197.9
[M-H]- 370.04674 193.3
[M+NH4]+ 389.08784 197.8
[M+K]+ 410.01718 192.0
[M+H-H2O]+ 354.05128 173.7
[M+HCOO]- 416.05222 203.1
[M+CH3COO]- 430.06787 196.0
[M+Na-2H]- 392.02869 182.6
[M]+ 371.05347 190.0
[M]- 371.05457 190.0
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.