CID 734348

5-methyl-4-oxo-3h,4h-thieno[2,3-d]pyrimidine-6-carboxamide

Structural Information

Molecular Formula
C8H7N3O2S
SMILES
CC1=C(SC2=C1C(=O)NC=N2)C(=O)N
InChI
InChI=1S/C8H7N3O2S/c1-3-4-7(13)10-2-11-8(4)14-5(3)6(9)12/h2H,1H3,(H2,9,12)(H,10,11,13)
InChIKey
SZXREMIPKYVHKQ-UHFFFAOYSA-N
Compound name
5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

209.0259 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03318 140.3
[M+Na]+ 232.01512 152.5
[M-H]- 208.01862 142.2
[M+NH4]+ 227.05972 159.4
[M+K]+ 247.98906 147.9
[M+H-H2O]+ 192.02316 134.5
[M+HCOO]- 254.02410 158.2
[M+CH3COO]- 268.03975 183.2
[M+Na-2H]- 230.00057 143.4
[M]+ 209.02535 142.8
[M]- 209.02645 142.8
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

patents stripe