CID 512204

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

Structural Information

Molecular Formula
C16H11N3O3S2
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1NC(=O)C4=CC=CS4
InChI
InChI=1S/C16H11N3O3S2/c1-9-17-15-13(10(8-24-15)11-4-2-6-22-11)16(21)19(9)18-14(20)12-5-3-7-23-12/h2-8H,1H3,(H,18,20)
InChIKey
FAOFQFBJNYZDSW-UHFFFAOYSA-N
Compound name
N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.02417 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.03145 180.2
[M+Na]+ 380.01339 195.0
[M-H]- 356.01689 192.8
[M+NH4]+ 375.05799 197.3
[M+K]+ 395.98733 191.0
[M+H-H2O]+ 340.02143 176.2
[M+HCOO]- 402.02237 198.5
[M+CH3COO]- 416.03802 194.0
[M+Na-2H]- 377.99884 179.3
[M]+ 357.02362 190.7
[M]- 357.02472 190.7
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.