CID 512200

Benzamide, n-[5-(2-furanyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3(4h)-yl]-4-methyl-

Structural Information

Molecular Formula
C19H15N3O3S
SMILES
CC1=CC=C(C=C1)C(=O)NN2C(=NC3=C(C2=O)C(=CS3)C4=CC=CO4)C
InChI
InChI=1S/C19H15N3O3S/c1-11-5-7-13(8-6-11)17(23)21-22-12(2)20-18-16(19(22)24)14(10-26-18)15-4-3-9-25-15/h3-10H,1-2H3,(H,21,23)
InChIKey
FBRRQYYDSYZFBJ-UHFFFAOYSA-N
Compound name
N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.0834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09068 184.9
[M+Na]+ 388.07262 197.3
[M-H]- 364.07612 196.4
[M+NH4]+ 383.11722 199.0
[M+K]+ 404.04656 192.8
[M+H-H2O]+ 348.08066 177.8
[M+HCOO]- 410.08160 204.6
[M+CH3COO]- 424.09725 197.5
[M+Na-2H]- 386.05807 185.0
[M]+ 365.08285 192.8
[M]- 365.08395 192.8
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.