CID 9579412

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

Structural Information

Molecular Formula
C18H11Cl2N3O2S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1/N=C/C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H11Cl2N3O2S/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
IYXQNAFXXLMPRW-ODCIPOBUSA-N
Compound name
3-[(E)-(2,4-dichlorophenyl)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

402.9949 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.00218 195.1
[M+Na]+ 425.98412 210.5
[M-H]- 401.98762 207.0
[M+NH4]+ 421.02872 209.9
[M+K]+ 441.95806 203.8
[M+H-H2O]+ 385.99216 188.1
[M+HCOO]- 447.99310 207.2
[M+CH3COO]- 462.00875 207.6
[M+Na-2H]- 423.96957 194.1
[M]+ 402.99435 206.9
[M]- 402.99545 206.9
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.