CID 9579411

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

Structural Information

Molecular Formula
C18H12ClN3O2S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1/N=C/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H12ClN3O2S/c1-11-21-17-16(14(10-25-17)15-3-2-8-24-15)18(23)22(11)20-9-12-4-6-13(19)7-5-12/h2-10H,1H3/b20-9+
InChIKey
NILRWQDQSJPQED-AWQFTUOYSA-N
Compound name
3-[(E)-(4-chlorophenyl)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

369.03387 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.04115 186.5
[M+Na]+ 392.02309 201.2
[M-H]- 368.02659 199.1
[M+NH4]+ 387.06769 202.2
[M+K]+ 407.99703 195.2
[M+H-H2O]+ 352.03113 179.2
[M+HCOO]- 414.03207 204.1
[M+CH3COO]- 428.04772 199.9
[M+Na-2H]- 390.00854 187.3
[M]+ 369.03332 197.0
[M]- 369.03442 197.0
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.